2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C18H19ClN2O3S — CID 9341600

IUPAC2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-5-4-6-14(11-13)20-18(22)16-12-15(7-8-17(16)19)25(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyVAGJYDJVBXLFKW-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9341600) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9341600
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-5-4-6-14(11-13)20-18(22)16-12-15(7-8-17(16)19)25(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyVAGJYDJVBXLFKW-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55563879

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 9341600) is 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VAGJYDJVBXLFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-5-4-6-14(11-13)20-18(22)16-12-15(7-8-17(16)19)25(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 378.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9341600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).