N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide

C18H19ClN2O3S — CID 155988731

IUPACN-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-16(19)8-5-9-17(13)25(23,24)20-18(22)14-6-4-7-15(12-14)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyCOQGHPPBOPXGQA-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.37
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide

N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide (PubChem CID 155988731) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide
PubChem CID155988731
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCC2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-16(19)8-5-9-17(13)25(23,24)20-18(22)14-6-4-7-15(12-14)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyCOQGHPPBOPXGQA-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)sulfonyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110166697
N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166689
N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide
CID 110166691
2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide
CID 110166706
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 68842273
N-(2-chlorophenyl)sulfonyl-3-methoxybenzamide
CID 139085848
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
benzyl 6-[[3-[(3-chloro-2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1,4-oxazepane-4-carboxylate
CID 110165956
(2S)-2-benzyl-N-(3-chloro-2-methylphenyl)sulfonyl-2-methyl-3,4-dihydrochromene-6-carboxamide
CID 124943947
(2R)-2-benzyl-N-(3-chloro-2-methylphenyl)sulfonyl-2-methyl-3,4-dihydrochromene-6-carboxamide
CID 124943946
3-(1,1-dioxothiazinan-2-yl)-N-(4-methylsulfonylphenyl)sulfonylbenzamide
CID 110166859

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide (CID 155988731) is N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide is Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cccc(N2CCCC2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide?
The InChIKey is COQGHPPBOPXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-16(19)8-5-9-17(13)25(23,24)20-18(22)14-6-4-7-15(12-14)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide?
N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide has a molecular weight of 378.88 g/mol, XLogP of 3.37, 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-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 155988731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).