N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

C138H147F2N17O15S5 — CID 161466276

IUPACN-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4ccc(F)nc4)Cc4ccc(F)nc4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4cccc(C)n4)Cc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4ccccc4)Cc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NCc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NCc4cccnc4)ccc3C[C@H]2O)cc1
InChIInChI=1S/C31H34N4O3S.C31H33N3O3S.C29H28F2N4O3S.C24H27N3O3S.C23H25N3O3S/c1-4-23-11-15-28(16-12-23)39(37,38)34-31-29-18-27(14-13-24(29)17-30(31)36)35(19-25-9-5-7-21(2)32-25)20-26-10-6-8-22(3)33-26;1-3-23-12-16-28(17-13-23)38(36,37)33-31-29-19-27(15-14-25(29)18-30(31)35)34(20-24-9-5-4-6-10-24)21-26-11-7-8-22(2)32-26;1-2-19-3-9-24(10-4-19)39(37,38)34-29-25-14-23(8-7-22(25)13-26(29)36)35(17-20-5-11-27(30)32-15-20)18-21-6-12-28(31)33-16-21;1-3-17-7-11-21(12-8-17)31(29,30)27-24-22-14-19(10-9-18(22)13-23(24)28)25-15-20-6-4-5-16(2)26-20;1-2-16-5-9-20(10-6-16)30(28,29)26-23-21-13-19(8-7-18(21)12-22(23)27)25-15-17-4-3-11-24-14-17/h5-16,18,30-31,34,36H,4,17,19-20H2,1-3H3;4-17,19,30-31,33,35H,3,18,20-21H2,1-2H3;3-12,14-16,26,29,34,36H,2,13,17-18H2,1H3;4-12,14,23-25,27-28H,3,13,15H2,1-2H3;3-11,13-14,22-23,25-27H,2,12,15H2,1H3/t2*30-,31-;26-,29-;23-,24-;22-,23-/m11111/s1
InChIKeyWCMCBUJFDKNZKZ-HMMFJBMVSA-N
MW2482.13 g/mol
LogP21.05
Rot. Bonds41

About N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (PubChem CID 161466276) has the molecular formula C138H147F2N17O15S5 and a molecular weight of 2482.13 g/mol. Its IUPAC name is N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
PubChem CID161466276
Molecular FormulaC138H147F2N17O15S5
Molecular Weight2482.13 g/mol
Exact Mass2479.98
IUPAC NameN-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4ccc(F)nc4)Cc4ccc(F)nc4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4cccc(C)n4)Cc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4ccccc4)Cc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NCc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NCc4cccnc4)ccc3C[C@H]2O)cc1
InChIInChI=1S/C31H34N4O3S.C31H33N3O3S.C29H28F2N4O3S.C24H27N3O3S.C23H25N3O3S/c1-4-23-11-15-28(16-12-23)39(37,38)34-31-29-18-27(14-13-24(29)17-30(31)36)35(19-25-9-5-7-21(2)32-25)20-26-10-6-8-22(3)33-26;1-3-23-12-16-28(17-13-23)38(36,37)33-31-29-19-27(15-14-25(29)18-30(31)35)34(20-24-9-5-4-6-10-24)21-26-11-7-8-22(2)32-26;1-2-19-3-9-24(10-4-19)39(37,38)34-29-25-14-23(8-7-22(25)13-26(29)36)35(17-20-5-11-27(30)32-15-20)18-21-6-12-28(31)33-16-21;1-3-17-7-11-21(12-8-17)31(29,30)27-24-22-14-19(10-9-18(22)13-23(24)28)25-15-20-6-4-5-16(2)26-20;1-2-16-5-9-20(10-6-16)30(28,29)26-23-21-13-19(8-7-18(21)12-22(23)27)25-15-17-4-3-11-24-14-17/h5-16,18,30-31,34,36H,4,17,19-20H2,1-3H3;4-17,19,30-31,33,35H,3,18,20-21H2,1-2H3;3-12,14-16,26,29,34,36H,2,13,17-18H2,1H3;4-12,14,23-25,27-28H,3,13,15H2,1-2H3;3-11,13-14,22-23,25-27H,2,12,15H2,1H3/t2*30-,31-;26-,29-;23-,24-;22-,23-/m11111/s1
InChIKeyWCMCBUJFDKNZKZ-HMMFJBMVSA-N
XLogP21.05
TPSA456.01 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002482.13
LogP ≤ 521.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide
CID 59984973
2-benzyl-1-[(2R,3R)-3-[(4-ethylphenyl)sulfonylamino]-2-hydroxy-2,3-dihydro-1H-inden-5-yl]-3-isocyanoguanidine
CID 59033801
3-(3-chlorophenyl)-N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 20760053
cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59914130
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214
4-ethyl-N-[(1R,2R)-2-hydroxy-6-[2-(3-methoxyphenyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 58290817
cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59094269
N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-phenyl-N-pyrazin-2-ylpropanamide
CID 20760086
trans-(1R,2R)-N-[(3S)-3-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 91121426
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-pyridin-3-ylmethanamine
CID 84591264
1-[4-[(6-methyl-2-pyridinyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66611565
N-[(7R,8R)-8-[(4-ethylphenyl)sulfonylamino]-7-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 44574214

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The IUPAC name of N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (CID 161466276) is N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4ccc(F)nc4)Cc4ccc(F)nc4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4cccc(C)n4)Cc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(N(Cc4ccccc4)Cc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NCc4cccc(C)n4)ccc3C[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NCc4cccnc4)ccc3C[C@H]2O)cc1.
What is the InChIKey of N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The InChIKey is WCMCBUJFDKNZKZ-HMMFJBMVSA-N. The full InChI is InChI=1S/C31H34N4O3S.C31H33N3O3S.C29H28F2N4O3S.C24H27N3O3S.C23H25N3O3S/c1-4-23-11-15-28(16-12-23)39(37,38)34-31-29-18-27(14-13-24(29)17-30(31)36)35(19-25-9-5-7-21(2)32-25)20-26-10-6-8-22(3)33-26;1-3-23-12-16-28(17-13-23)38(36,37)33-31-29-19-27(15-14-25(29)18-30(31)35)34(20-24-9-5-4-6-10-24)21-26-11-7-8-22(2)32-26;1-2-19-3-9-24(10-4-19)39(37,38)34-29-25-14-23(8-7-22(25)13-26(29)36)35(17-20-5-11-27(30)32-15-20)18-21-6-12-28(31)33-16-21;1-3-17-7-11-21(12-8-17)31(29,30)27-24-22-14-19(10-9-18(22)13-23(24)28)25-15-20-6-4-5-16(2)26-20;1-2-16-5-9-20(10-6-16)30(28,29)26-23-21-13-19(8-7-18(21)12-22(23)27)25-15-17-4-3-11-24-14-17/h5-16,18,30-31,34,36H,4,17,19-20H2,1-3H3;4-17,19,30-31,33,35H,3,18,20-21H2,1-2H3;3-12,14-16,26,29,34,36H,2,13,17-18H2,1H3;4-12,14,23-25,27-28H,3,13,15H2,1-2H3;3-11,13-14,22-23,25-27H,2,12,15H2,1H3/t2*30-,31-;26-,29-;23-,24-;22-,23-/m11111/s1.
What are the key properties of N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 2482.13 g/mol, XLogP of 21.05, 41 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-6-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-fluoro-3-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;N-[(1R,2R)-6-[bis[(6-methyl-2-pyridinyl)methyl]amino]-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-ethylbenzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-[(6-methyl-2-pyridinyl)methylamino]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;4-ethyl-N-[(1R,2R)-2-hydroxy-6-(pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 161466276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).