3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide

C18H19ClN2O3S — CID 47062838

IUPAC3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CN3CCCC3=O)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-13-7-8-16(11-17(13)19)25(23,24)20-15-5-2-4-14(10-15)12-21-9-3-6-18(21)22/h2,4-5,7-8,10-11,20H,3,6,9,12H2,1H3
InChIKeyVJRQQRZBNOVJAW-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.57
Rot. Bonds5

About 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide

3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 47062838) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
PubChem CID47062838
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CN3CCCC3=O)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-13-7-8-16(11-17(13)19)25(23,24)20-15-5-2-4-14(10-15)12-21-9-3-6-18(21)22/h2,4-5,7-8,10-11,20H,3,6,9,12H2,1H3
InChIKeyVJRQQRZBNOVJAW-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide
CID 49369107
5-fluoro-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062837
N-(3-chloro-4-methylphenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110421017
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 37359806
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 43062423
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 99580883
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
1-[[3-(bromomethyl)phenyl]methyl]pyrrolidin-2-one
CID 164596581
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide (CID 47062838) is 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(CN3CCCC3=O)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is VJRQQRZBNOVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-7-8-16(11-17(13)19)25(23,24)20-15-5-2-4-14(10-15)12-21-9-3-6-18(21)22/h2,4-5,7-8,10-11,20H,3,6,9,12H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide?
3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 47062838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).