4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen

C55H68Cl2F3N11O6S2 — CID 158233464

IUPAC4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)n3)cc2)CC1)N1CCCc2cc(Cl)ccc21.Cc1nccc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H29ClF3N5O3S.C27H31ClN6O3S.4H2/c1-19(37-13-3-4-20-18-21(29)7-12-24(20)37)27(38)36-16-14-35(15-17-36)22-8-10-23(11-9-22)41(39,40)34-26-6-2-5-25(33-26)28(30,31)32;1-19(34-13-3-4-21-18-22(28)5-10-25(21)34)27(35)33-16-14-32(15-17-33)23-6-8-24(9-7-23)38(36,37)31-26-11-12-29-20(2)30-26;;;;/h2,5-12,18-19H,3-4,13-17H2,1H3,(H,33,34);5-12,18-19H,3-4,13-17H2,1-2H3,(H,29,30,31);4*1H/t2*19-;;;;/m11..../s1
InChIKeyGEQZYMHUMDZGMV-SJKBYSAMSA-N
MW1171.25 g/mol
LogP9.76
Rot. Bonds12

About 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen

4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen (PubChem CID 158233464) has the molecular formula C55H68Cl2F3N11O6S2 and a molecular weight of 1171.25 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen
PubChem CID158233464
Molecular FormulaC55H68Cl2F3N11O6S2
Molecular Weight1171.25 g/mol
Exact Mass1169.41
IUPAC Name4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)n3)cc2)CC1)N1CCCc2cc(Cl)ccc21.Cc1nccc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C28H29ClF3N5O3S.C27H31ClN6O3S.4H2/c1-19(37-13-3-4-20-18-21(29)7-12-24(20)37)27(38)36-16-14-35(15-17-36)22-8-10-23(11-9-22)41(39,40)34-26-6-2-5-25(33-26)28(30,31)32;1-19(34-13-3-4-21-18-22(28)5-10-25(21)34)27(35)33-16-14-32(15-17-33)23-6-8-24(9-7-23)38(36,37)31-26-11-12-29-20(2)30-26;;;;/h2,5-12,18-19H,3-4,13-17H2,1H3,(H,33,34);5-12,18-19H,3-4,13-17H2,1-2H3,(H,29,30,31);4*1H/t2*19-;;;;/m11..../s1
InChIKeyGEQZYMHUMDZGMV-SJKBYSAMSA-N
XLogP9.76
TPSA184.59 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.25
LogP ≤ 59.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen with MolForge

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Related Compounds

4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 58215150
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 58215189
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 58215202
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(3,5-difluoro-2-pyridinyl)benzenesulfonamide
CID 58215244
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-fluoropyrimidin-4-yl)benzenesulfonamide
CID 58215275
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 58215399
4-[4-[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 58215434
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 58215458
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(3,5-difluoro-2-pyridinyl)benzenesulfonamide
CID 59465868
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-chloro-5-fluoropyrimidin-4-yl)benzenesulfonamide
CID 59465961
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 59466043
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 59466106

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen (CID 158233464) is 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen is C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)n3)cc2)CC1)N1CCCc2cc(Cl)ccc21.Cc1nccc(NS(=O)(=O)c2ccc(N3CCN(C(=O)[C@@H](C)N4CCCc5cc(Cl)ccc54)CC3)cc2)n1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen?
The InChIKey is GEQZYMHUMDZGMV-SJKBYSAMSA-N. The full InChI is InChI=1S/C28H29ClF3N5O3S.C27H31ClN6O3S.4H2/c1-19(37-13-3-4-20-18-21(29)7-12-24(20)37)27(38)36-16-14-35(15-17-36)22-8-10-23(11-9-22)41(39,40)34-26-6-2-5-25(33-26)28(30,31)32;1-19(34-13-3-4-21-18-22(28)5-10-25(21)34)27(35)33-16-14-32(15-17-33)23-6-8-24(9-7-23)38(36,37)31-26-11-12-29-20(2)30-26;;;;/h2,5-12,18-19H,3-4,13-17H2,1H3,(H,33,34);5-12,18-19H,3-4,13-17H2,1-2H3,(H,29,30,31);4*1H/t2*19-;;;;/m11..../s1.
What are the key properties of 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen?
4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen has a molecular weight of 1171.25 g/mol, XLogP of 9.76, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-(2-methylpyrimidin-4-yl)benzenesulfonamide;4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]-N-[6-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 158233464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).