[4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C192H172F12N26O29S7 — CID 158120210

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2cccc(F)c2F)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CC2CC2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(F)c2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C28H24F3N3O3S.3C28H24F2N4O5S.C28H25FN4O5S.C27H25FN4O3S.C25H26FN3O3S/c29-23-7-1-5-21(26(23)31)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(30)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;1-39-23-17-19(32-40(37,38)24-9-2-5-18-6-4-12-31-26(18)24)10-11-20(23)27(35)33-13-15-34(16-14-33)28(36)25-21(29)7-3-8-22(25)30;1-39-23-17-19(32-40(37,38)24-9-2-5-18-6-4-12-31-26(18)24)10-11-20(23)27(35)33-13-15-34(16-14-33)28(36)21-7-3-8-22(29)25(21)30;1-39-24-17-20(32-40(37,38)25-6-2-4-18-5-3-11-31-26(18)25)8-9-21(24)28(36)34-14-12-33(13-15-34)27(35)19-7-10-22(29)23(30)16-19;1-38-24-18-20(31-39(36,37)25-10-4-6-19-7-5-13-30-26(19)25)11-12-22(24)28(35)33-16-14-32(15-17-33)27(34)21-8-2-3-9-23(21)29;28-24-17-22(27(33)32-15-13-31(14-16-32)18-20-8-11-29-12-9-20)6-7-23(24)19-36(34,35)25-5-1-3-21-4-2-10-30-26(21)25;26-22-15-20(25(30)29-13-11-28(12-14-29)16-18-6-7-18)8-9-21(22)17-33(31,32)23-5-1-3-19-4-2-10-27-24(19)23/h1-11,16H,12-15,17-18H2;2*2-12,17,32H,13-16H2,1H3;2-11,16-17,32H,12-15H2,1H3;2-13,18,31H,14-17H2,1H3;1-12,17H,13-16,18-19H2;1-5,8-10,15,18H,6-7,11-14,16-17H2
InChIKeyFRNAJMOPEBSGDZ-UHFFFAOYSA-N
MW3760.09 g/mol
LogP27.34
Rot. Bonds42

About [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 158120210) has the molecular formula C192H172F12N26O29S7 and a molecular weight of 3760.09 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID158120210
Molecular FormulaC192H172F12N26O29S7
Molecular Weight3760.09 g/mol
Exact Mass3757.06
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2cccc(F)c2F)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CC2CC2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(F)c2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C28H24F3N3O3S.3C28H24F2N4O5S.C28H25FN4O5S.C27H25FN4O3S.C25H26FN3O3S/c29-23-7-1-5-21(26(23)31)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(30)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;1-39-23-17-19(32-40(37,38)24-9-2-5-18-6-4-12-31-26(18)24)10-11-20(23)27(35)33-13-15-34(16-14-33)28(36)25-21(29)7-3-8-22(25)30;1-39-23-17-19(32-40(37,38)24-9-2-5-18-6-4-12-31-26(18)24)10-11-20(23)27(35)33-13-15-34(16-14-33)28(36)21-7-3-8-22(29)25(21)30;1-39-24-17-20(32-40(37,38)25-6-2-4-18-5-3-11-31-26(18)25)8-9-21(24)28(36)34-14-12-33(13-15-34)27(35)19-7-10-22(29)23(30)16-19;1-38-24-18-20(31-39(36,37)25-10-4-6-19-7-5-13-30-26(19)25)11-12-22(24)28(35)33-16-14-32(15-17-33)27(34)21-8-2-3-9-23(21)29;28-24-17-22(27(33)32-15-13-31(14-16-32)18-20-8-11-29-12-9-20)6-7-23(24)19-36(34,35)25-5-1-3-21-4-2-10-30-26(21)25;26-22-15-20(25(30)29-13-11-28(12-14-29)16-18-6-7-18)8-9-21(22)17-33(31,32)23-5-1-3-19-4-2-10-27-24(19)23/h1-11,16H,12-15,17-18H2;2*2-12,17,32H,13-16H2,1H3;2-11,16-17,32H,12-15H2,1H3;2-13,18,31H,14-17H2,1H3;1-12,17H,13-16,18-19H2;1-5,8-10,15,18H,6-7,11-14,16-17H2
InChIKeyFRNAJMOPEBSGDZ-UHFFFAOYSA-N
XLogP27.34
TPSA660.27 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003760.09
LogP ≤ 527.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N-[4-[4-(5-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 49854596
N-[4-[4-(2-fluoro-3-methoxybenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 49854705
N-[4-[4-(3-fluoropyridine-4-carbonyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59634767
[2-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634811
[4-[(5-Fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634845
N-[3-methoxy-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634869
[4-[(3-Fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634906
N-[3-methoxy-4-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634955
N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59634967
N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59634984
N-[4-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59635003
N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide
CID 59635013

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 158120210) is [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2cccc(F)c2F)CC1.COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(CC2CC2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(F)c2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is FRNAJMOPEBSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O3S.3C28H24F2N4O5S.C28H25FN4O5S.C27H25FN4O3S.C25H26FN3O3S/c29-23-7-1-5-21(26(23)31)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(30)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;1-39-23-17-19(32-40(37,38)24-9-2-5-18-6-4-12-31-26(18)24)10-11-20(23)27(35)33-13-15-34(16-14-33)28(36)25-21(29)7-3-8-22(25)30;1-39-23-17-19(32-40(37,38)24-9-2-5-18-6-4-12-31-26(18)24)10-11-20(23)27(35)33-13-15-34(16-14-33)28(36)21-7-3-8-22(29)25(21)30;1-39-24-17-20(32-40(37,38)25-6-2-4-18-5-3-11-31-26(18)25)8-9-21(24)28(36)34-14-12-33(13-15-34)27(35)19-7-10-22(29)23(30)16-19;1-38-24-18-20(31-39(36,37)25-10-4-6-19-7-5-13-30-26(19)25)11-12-22(24)28(35)33-16-14-32(15-17-33)27(34)21-8-2-3-9-23(21)29;28-24-17-22(27(33)32-15-13-31(14-16-32)18-20-8-11-29-12-9-20)6-7-23(24)19-36(34,35)25-5-1-3-21-4-2-10-30-26(21)25;26-22-15-20(25(30)29-13-11-28(12-14-29)16-18-6-7-18)8-9-21(22)17-33(31,32)23-5-1-3-19-4-2-10-27-24(19)23/h1-11,16H,12-15,17-18H2;2*2-12,17,32H,13-16H2,1H3;2-11,16-17,32H,12-15H2,1H3;2-13,18,31H,14-17H2,1H3;1-12,17H,13-16,18-19H2;1-5,8-10,15,18H,6-7,11-14,16-17H2.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 3760.09 g/mol, XLogP of 27.34, 42 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 158120210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).