N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide

C21H17FN4O3S — CID 4555053

IUPACN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C21H17FN4O3S/c1-13-6-8-15(25-21(27)14-7-9-18-19(10-14)24-12-23-18)11-20(13)30(28,29)26-17-5-3-2-4-16(17)22/h2-12,26H,1H3,(H,23,24)(H,25,27)
InChIKeyLVEMBNPYVMBFDP-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.06
Rot. Bonds5

About N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 4555053) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
PubChem CID4555053
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC NameN-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C21H17FN4O3S/c1-13-6-8-15(25-21(27)14-7-9-18-19(10-14)24-12-23-18)11-20(13)30(28,29)26-17-5-3-2-4-16(17)22/h2-12,26H,1H3,(H,23,24)(H,25,27)
InChIKeyLVEMBNPYVMBFDP-UHFFFAOYSA-N
XLogP4.06
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24648342
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 31474763
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 37194892
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 31474000
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24648421
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24648339
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
4-[(2-fluorophenyl)sulfamoyl]-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576215
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrothiophene-2-carboxamide
CID 31474760

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide (CID 4555053) is N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LVEMBNPYVMBFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-13-6-8-15(25-21(27)14-7-9-18-19(10-14)24-12-23-18)11-20(13)30(28,29)26-17-5-3-2-4-16(17)22/h2-12,26H,1H3,(H,23,24)(H,25,27).
What are the key properties of N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide?
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 4555053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).