4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide

C19H21ClN2O4S — CID 7635869

IUPAC4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)ccc1N1CCCC1=O
InChIInChI=1S/C19H21ClN2O4S/c1-12-10-18(13(2)9-15(12)20)27(24,25)21-14-6-7-16(17(11-14)26-3)22-8-4-5-19(22)23/h6-7,9-11,21H,4-5,8H2,1-3H3
InChIKeyARBKVBYMVOUSRL-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.89
Rot. Bonds5

About 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 7635869) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID7635869
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)ccc1N1CCCC1=O
InChIInChI=1S/C19H21ClN2O4S/c1-12-10-18(13(2)9-15(12)20)27(24,25)21-14-6-7-16(17(11-14)26-3)22-8-4-5-19(22)23/h6-7,9-11,21H,4-5,8H2,1-3H3
InChIKeyARBKVBYMVOUSRL-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636043
4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7635910
4-methoxy-2,5-dimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636186
3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 17495368
2,5-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 17495366
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 25419527
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
2,4,5-trimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636155
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 25359026
2-methoxy-5-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635810
2,5-dimethoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 7635869) is 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)ccc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is ARBKVBYMVOUSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-12-10-18(13(2)9-15(12)20)27(24,25)21-14-6-7-16(17(11-14)26-3)22-8-4-5-19(22)23/h6-7,9-11,21H,4-5,8H2,1-3H3.
What are the key properties of 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 408.91 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 7635869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).