2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate

C18H17N2O5S- — CID 4094310

IUPAC2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
SMILESO=C(Nc1ccccc1C(=O)[O-])c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H18N2O5S/c21-17(19-16-9-2-1-8-15(16)18(22)23)13-6-5-7-14(12-13)26(24,25)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)(H,22,23)/p-1
InChIKeyNVUUTGOWYOEBGY-UHFFFAOYSA-M
MW373.41 g/mol
LogP1.09
Rot. Bonds5

About 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate

2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 4094310) has the molecular formula C18H17N2O5S- and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
PubChem CID4094310
Molecular FormulaC18H17N2O5S-
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
SMILESO=C(Nc1ccccc1C(=O)[O-])c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H18N2O5S/c21-17(19-16-9-2-1-8-15(16)18(22)23)13-6-5-7-14(12-13)26(24,25)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)(H,22,23)/p-1
InChIKeyNVUUTGOWYOEBGY-UHFFFAOYSA-M
XLogP1.09
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 15996952
3-piperidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2329024
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26181040
2-[[3-(carboxylatomethylsulfonyl)benzoyl]amino]benzoate
CID 7154600
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate (CID 4094310) is 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate is O=C(Nc1ccccc1C(=O)[O-])c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is NVUUTGOWYOEBGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18N2O5S/c21-17(19-16-9-2-1-8-15(16)18(22)23)13-6-5-7-14(12-13)26(24,25)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2,(H,19,21)(H,22,23)/p-1.
What are the key properties of 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate?
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 373.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 4094310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).