N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

C23H21ClN4O3S — CID 24659572

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C23H21ClN4O3S/c1-14(2)28-32(30,31)17-11-12-19(24)18(13-17)23(29)25-16-9-7-15(8-10-16)22-26-20-5-3-4-6-21(20)27-22/h3-14,28H,1-2H3,(H,25,29)(H,26,27)
InChIKeyUOBYTCLIULPNNE-UHFFFAOYSA-N
MW468.97 g/mol
LogP4.82
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 24659572) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID24659572
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C23H21ClN4O3S/c1-14(2)28-32(30,31)17-11-12-19(24)18(13-17)23(29)25-16-9-7-15(8-10-16)22-26-20-5-3-4-6-21(20)27-22/h3-14,28H,1-2H3,(H,25,29)(H,26,27)
InChIKeyUOBYTCLIULPNNE-UHFFFAOYSA-N
XLogP4.82
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39088716
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
CID 166201051
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789530
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 2234702
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78781336

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide (CID 24659572) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is UOBYTCLIULPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c1-14(2)28-32(30,31)17-11-12-19(24)18(13-17)23(29)25-16-9-7-15(8-10-16)22-26-20-5-3-4-6-21(20)27-22/h3-14,28H,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 468.97 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 24659572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).