N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide

C16H16N4O3S — CID 2583610

IUPACN-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N4O3S/c1-20(2)24(22,23)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyMAKRLSHFJHFWSG-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.07
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide

N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 2583610) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
PubChem CID2583610
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N4O3S/c1-20(2)24(22,23)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21)
InChIKeyMAKRLSHFJHFWSG-UHFFFAOYSA-N
XLogP2.07
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 9110024
N-(1H-benzimidazol-2-yl)-3-(phenylsulfamoyl)benzamide
CID 155294875
N-(1H-benzimidazol-2-yl)-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 27649646
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
3-amino-N-(1H-benzimidazol-2-yl)benzamide
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N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 30476399
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide (CID 2583610) is N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is MAKRLSHFJHFWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-20(2)24(22,23)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide?
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 344.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2583610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).