N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C16H17N5O3S — CID 18126205

IUPACN-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C16H17N5O3S/c22-16(19-21-11-18-13-5-1-2-6-15(13)21)14-9-12(10-17-14)25(23,24)20-7-3-4-8-20/h1-2,5-6,9-11,17H,3-4,7-8H2,(H,19,22)
InChIKeyBFEJPOCJPKWUQB-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.53
Rot. Bonds4

About N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18126205) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18126205
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(S(=O)(=O)N2CCCC2)c[nH]1
InChIInChI=1S/C16H17N5O3S/c22-16(19-21-11-18-13-5-1-2-6-15(13)21)14-9-12(10-17-14)25(23,24)20-7-3-4-8-20/h1-2,5-6,9-11,17H,3-4,7-8H2,(H,19,22)
InChIKeyBFEJPOCJPKWUQB-UHFFFAOYSA-N
XLogP1.53
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide
CID 18270283
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CID 9451230
N-(2-hydroxyethyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 43392938
4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43440229
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18128745
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
N-butyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106265
N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide
CID 37288160
N-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854
N-(3,5-dimethoxyphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106093
N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
CID 17464518
[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134043588

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18126205) is N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is O=C(Nn1cnc2ccccc21)c1cc(S(=O)(=O)N2CCCC2)c[nH]1.
What is the InChIKey of N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is BFEJPOCJPKWUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c22-16(19-21-11-18-13-5-1-2-6-15(13)21)14-9-12(10-17-14)25(23,24)20-7-3-4-8-20/h1-2,5-6,9-11,17H,3-4,7-8H2,(H,19,22).
What are the key properties of N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18126205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).