4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide

C23H22N2O4S2 — CID 28633920

IUPAC4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1N1CCCC1=O
InChIInChI=1S/C23H22N2O4S2/c1-29-21-14-13-18(16-20(21)25-15-7-12-23(25)26)31(27,28)24-19-10-5-6-11-22(19)30-17-8-3-2-4-9-17/h2-6,8-11,13-14,16,24H,7,12,15H2,1H3
InChIKeyKKONRVZEHBYCQO-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.77
Rot. Bonds7

About 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide

4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide (PubChem CID 28633920) has the molecular formula C23H22N2O4S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide
PubChem CID28633920
Molecular FormulaC23H22N2O4S2
Molecular Weight454.57 g/mol
Exact Mass454.10
IUPAC Name4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1N1CCCC1=O
InChIInChI=1S/C23H22N2O4S2/c1-29-21-14-13-18(16-20(21)25-15-7-12-23(25)26)31(27,28)24-19-10-5-6-11-22(19)30-17-8-3-2-4-9-17/h2-6,8-11,13-14,16,24H,7,12,15H2,1H3
InChIKeyKKONRVZEHBYCQO-UHFFFAOYSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636062
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 92676550
N-[1-(3,4-dimethylphenyl)propyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 132665070
N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30400695
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284127
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide (CID 28633920) is 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1N1CCCC1=O.
What is the InChIKey of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
The InChIKey is KKONRVZEHBYCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S2/c1-29-21-14-13-18(16-20(21)25-15-7-12-23(25)26)31(27,28)24-19-10-5-6-11-22(19)30-17-8-3-2-4-9-17/h2-6,8-11,13-14,16,24H,7,12,15H2,1H3.
What are the key properties of 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide?
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 28633920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).