3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide

C45H36ClN3O6S2 — CID 157344030

IUPAC3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1.O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H22N2O3S.C21H14ClNO3S/c1-16-8-11-19(12-9-16)30(28,29)25-15-21-23(18-6-4-3-5-7-18)20-14-17(2)10-13-22(20)26-24(21)27;22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(21(24)23-18)27(25,26)16-9-5-2-6-10-16/h3-14,25H,15H2,1-2H3,(H,26,27);1-13H,(H,23,24)
InChIKeyBGSYDVUHLUNATN-UHFFFAOYSA-N
MW814.39 g/mol
LogP8.97
Rot. Bonds8

About 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide

3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 157344030) has the molecular formula C45H36ClN3O6S2 and a molecular weight of 814.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID157344030
Molecular FormulaC45H36ClN3O6S2
Molecular Weight814.39 g/mol
Exact Mass813.17
IUPAC Name3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1.O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H22N2O3S.C21H14ClNO3S/c1-16-8-11-19(12-9-16)30(28,29)25-15-21-23(18-6-4-3-5-7-18)20-14-17(2)10-13-22(20)26-24(21)27;22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(21(24)23-18)27(25,26)16-9-5-2-6-10-16/h3-14,25H,15H2,1-2H3,(H,26,27);1-13H,(H,23,24)
InChIKeyBGSYDVUHLUNATN-UHFFFAOYSA-N
XLogP8.97
TPSA146.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.39
LogP ≤ 58.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

6-chloro-3-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1H-quinolin-2-one
CID 118677166
N-(7-chloro-2-oxo-3-phenyl-1H-quinolin-4-yl)benzenesulfonamide
CID 10501747
3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
CID 68657749
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346
N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 155565781
N-[(2-chloro-3,6-difluorophenyl)methyl]-4-phenylbenzenesulfonamide
CID 3266947
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
6-chloro-3-cyclohexa-1,5-dien-1-yl-4-phenyl-1H-quinolin-2-one
CID 142993457
ethyl 3-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)benzoate
CID 59654994
2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 157344030) is 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)cc1.O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is BGSYDVUHLUNATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S.C21H14ClNO3S/c1-16-8-11-19(12-9-16)30(28,29)25-15-21-23(18-6-4-3-5-7-18)20-14-17(2)10-13-22(20)26-24(21)27;22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)20(21(24)23-18)27(25,26)16-9-5-2-6-10-16/h3-14,25H,15H2,1-2H3,(H,26,27);1-13H,(H,23,24).
What are the key properties of 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide?
3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 814.39 g/mol, XLogP of 8.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-chloro-4-phenyl-1H-quinolin-2-one;4-methyl-N-[(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 157344030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).