4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide

C24H21ClN4O3S — CID 55453222

IUPAC4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21ClN4O3S/c25-17-9-11-18(12-10-17)28-33(31,32)19-13-7-16(8-14-19)24(30)29-15-3-6-22(29)23-26-20-4-1-2-5-21(20)27-23/h1-2,4-5,7-14,22,28H,3,6,15H2,(H,26,27)
InChIKeyZHFDQPWOLRYMOJ-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.99
Rot. Bonds5

About 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide

4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide (PubChem CID 55453222) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide
PubChem CID55453222
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC Name4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21ClN4O3S/c25-17-9-11-18(12-10-17)28-33(31,32)19-13-7-16(8-14-19)24(30)29-15-3-6-22(29)23-26-20-4-1-2-5-21(20)27-23/h1-2,4-5,7-14,22,28H,3,6,15H2,(H,26,27)
InChIKeyZHFDQPWOLRYMOJ-UHFFFAOYSA-N
XLogP4.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 55453578
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide;hydrochloride
CID 119631367
1H-benzimidazol-2-yl-[2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 119064094
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 51269960
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
N-[4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 40973540
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
CID 55629262
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 51270047

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide (CID 55453222) is 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide?
The InChIKey is ZHFDQPWOLRYMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c25-17-9-11-18(12-10-17)28-33(31,32)19-13-7-16(8-14-19)24(30)29-15-3-6-22(29)23-26-20-4-1-2-5-21(20)27-23/h1-2,4-5,7-14,22,28H,3,6,15H2,(H,26,27).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide?
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide has a molecular weight of 480.98 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 55453222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).