1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide

C18H17BrN4O4S — CID 42935536

IUPAC1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN4O4S/c19-11-3-6-13(7-4-11)28(26,27)23-9-1-2-16(23)17(24)20-12-5-8-14-15(10-12)22-18(25)21-14/h3-8,10,16H,1-2,9H2,(H,20,24)(H2,21,22,25)
InChIKeyICWOPJZSXNAXAZ-UHFFFAOYSA-N
MW465.33 g/mol
LogP2.41
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 42935536) has the molecular formula C18H17BrN4O4S and a molecular weight of 465.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID42935536
Molecular FormulaC18H17BrN4O4S
Molecular Weight465.33 g/mol
Exact Mass464.02
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H17BrN4O4S/c19-11-3-6-13(7-4-11)28(26,27)23-9-1-2-16(23)17(24)20-12-5-8-14-15(10-12)22-18(25)21-14/h3-8,10,16H,1-2,9H2,(H,20,24)(H2,21,22,25)
InChIKeyICWOPJZSXNAXAZ-UHFFFAOYSA-N
XLogP2.41
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 51646909
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
1-(4-bromophenyl)sulfonyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide
CID 43041852
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18846716
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
CID 92887782
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110867641
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide (CID 42935536) is 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is ICWOPJZSXNAXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O4S/c19-11-3-6-13(7-4-11)28(26,27)23-9-1-2-16(23)17(24)20-12-5-8-14-15(10-12)22-18(25)21-14/h3-8,10,16H,1-2,9H2,(H,20,24)(H2,21,22,25).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 465.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42935536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).