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

C18H19ClN2O4S — CID 26914552

IUPAC2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-25-14-6-4-5-13(11-14)20-18(22)16-12-15(7-8-17(16)19)26(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyJKRWZAHCARDULA-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.39
Rot. Bonds5

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

2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26914552) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26914552
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-25-14-6-4-5-13(11-14)20-18(22)16-12-15(7-8-17(16)19)26(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
InChIKeyJKRWZAHCARDULA-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55563879
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
2-hydroxy-N-(3-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853473
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26914552) is 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is COc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is JKRWZAHCARDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-14-6-4-5-13(11-14)20-18(22)16-12-15(7-8-17(16)19)26(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-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26914552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).