N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide

C18H17ClN2O4S — CID 110166697

IUPACN-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17ClN2O4S/c1-12-15(19)7-3-8-16(12)26(24,25)20-18(23)13-5-2-6-14(11-13)21-10-4-9-17(21)22/h2-3,5-8,11H,4,9-10H2,1H3,(H,20,23)
InChIKeyIJXDDPJOFCNGEW-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.89
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide

N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 110166697) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID110166697
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17ClN2O4S/c1-12-15(19)7-3-8-16(12)26(24,25)20-18(23)13-5-2-6-14(11-13)21-10-4-9-17(21)22/h2-3,5-8,11H,4,9-10H2,1H3,(H,20,23)
InChIKeyIJXDDPJOFCNGEW-UHFFFAOYSA-N
XLogP2.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide
CID 155988731
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166689
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 110166697) is N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is IJXDDPJOFCNGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-12-15(19)7-3-8-16(12)26(24,25)20-18(23)13-5-2-6-14(11-13)21-10-4-9-17(21)22/h2-3,5-8,11H,4,9-10H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 392.86 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 110166697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).