2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide

C21H15F3N4O3S — CID 10204831

IUPAC2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)14-4-6-15(7-5-14)28-32(30,31)16-8-1-12(2-9-16)20-26-17-10-3-13(19(25)29)11-18(17)27-20/h1-11,28H,(H2,25,29)(H,26,27)
InChIKeyPPNMKGVBEAVBKZ-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.15
Rot. Bonds5

About 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10204831) has the molecular formula C21H15F3N4O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10204831
Molecular FormulaC21H15F3N4O3S
Molecular Weight460.44 g/mol
Exact Mass460.08
IUPAC Name2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)14-4-6-15(7-5-14)28-32(30,31)16-8-1-12(2-9-16)20-26-17-10-3-13(19(25)29)11-18(17)27-20/h1-11,28H,(H2,25,29)(H,26,27)
InChIKeyPPNMKGVBEAVBKZ-UHFFFAOYSA-N
XLogP4.15
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide (CID 10204831) is 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PPNMKGVBEAVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c22-21(23,24)14-4-6-15(7-5-14)28-32(30,31)16-8-1-12(2-9-16)20-26-17-10-3-13(19(25)29)11-18(17)27-20/h1-11,28H,(H2,25,29)(H,26,27).
What are the key properties of 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10204831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).