N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide

C17H18N4O3S — CID 9110024

IUPACN-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O3S/c1-11-8-9-12(25(23,24)21(2)3)10-13(11)16(22)20-17-18-14-6-4-5-7-15(14)19-17/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKeyMSUFMHHOSACMII-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.37
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide

N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide (PubChem CID 9110024) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide
PubChem CID9110024
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H18N4O3S/c1-11-8-9-12(25(23,24)21(2)3)10-13(11)16(22)20-17-18-14-6-4-5-7-15(14)19-17/h4-10H,1-3H3,(H2,18,19,20,22)
InChIKeyMSUFMHHOSACMII-UHFFFAOYSA-N
XLogP2.37
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2583610
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N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
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N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
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CID 112791035
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18116353
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 27649348
N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114923550
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CID 12620222

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide (CID 9110024) is N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
The InChIKey is MSUFMHHOSACMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-8-9-12(25(23,24)21(2)3)10-13(11)16(22)20-17-18-14-6-4-5-7-15(14)19-17/h4-10H,1-3H3,(H2,18,19,20,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
N-(1H-benzimidazol-2-yl)-5-(dimethylsulfamoyl)-2-methylbenzamide has a molecular weight of 358.42 g/mol, XLogP of 2.37, 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)-5-(dimethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 9110024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).