N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

C27H20ClFN4O3S — CID 166755224

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(F)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C27H20ClFN4O3S/c1-17-30-24-15-18(7-14-25(24)33(17)22-5-3-2-4-6-22)27(34)31-21-12-13-23(29)26(16-21)37(35,36)32-20-10-8-19(28)9-11-20/h2-16,32H,1H3,(H,31,34)
InChIKeyGAHABNZSGNXEPS-UHFFFAOYSA-N
MW535.00 g/mol
LogP6.18
Rot. Bonds6

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 166755224) has the molecular formula C27H20ClFN4O3S and a molecular weight of 535.00 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID166755224
Molecular FormulaC27H20ClFN4O3S
Molecular Weight535.00 g/mol
Exact Mass534.09
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nc3ccc(F)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C27H20ClFN4O3S/c1-17-30-24-15-18(7-14-25(24)33(17)22-5-3-2-4-6-22)27(34)31-21-12-13-23(29)26(16-21)37(35,36)32-20-10-8-19(28)9-11-20/h2-16,32H,1H3,(H,31,34)
InChIKeyGAHABNZSGNXEPS-UHFFFAOYSA-N
XLogP6.18
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (CID 166755224) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nc3ccc(F)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc2n1-c1ccccc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is GAHABNZSGNXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClFN4O3S/c1-17-30-24-15-18(7-14-25(24)33(17)22-5-3-2-4-6-22)27(34)31-21-12-13-23(29)26(16-21)37(35,36)32-20-10-8-19(28)9-11-20/h2-16,32H,1H3,(H,31,34).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 535.00 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 166755224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).