4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide

C16H12ClF3N4O3S — CID 19858099

IUPAC4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide
SMILESCc1nc2cc(C(F)(F)F)ccc2n1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H12ClF3N4O3S/c1-8-22-12-7-10(16(18,19)20)3-5-13(12)24(8)23-15(25)9-2-4-11(17)14(6-9)28(21,26)27/h2-7H,1H3,(H,23,25)(H2,21,26,27)
InChIKeyUBWYSPDJHLKENV-UHFFFAOYSA-N
MW432.81 g/mol
LogP3.05
Rot. Bonds3

About 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide

4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide (PubChem CID 19858099) has the molecular formula C16H12ClF3N4O3S and a molecular weight of 432.81 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide
PubChem CID19858099
Molecular FormulaC16H12ClF3N4O3S
Molecular Weight432.81 g/mol
Exact Mass432.03
IUPAC Name4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide
SMILESCc1nc2cc(C(F)(F)F)ccc2n1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H12ClF3N4O3S/c1-8-22-12-7-10(16(18,19)20)3-5-13(12)24(8)23-15(25)9-2-4-11(17)14(6-9)28(21,26)27/h2-7H,1H3,(H,23,25)(H2,21,26,27)
InChIKeyUBWYSPDJHLKENV-UHFFFAOYSA-N
XLogP3.05
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide (CID 19858099) is 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide is Cc1nc2cc(C(F)(F)F)ccc2n1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide?
The InChIKey is UBWYSPDJHLKENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O3S/c1-8-22-12-7-10(16(18,19)20)3-5-13(12)24(8)23-15(25)9-2-4-11(17)14(6-9)28(21,26)27/h2-7H,1H3,(H,23,25)(H2,21,26,27).
What are the key properties of 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide?
4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide has a molecular weight of 432.81 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]-3-sulfamoylbenzamide is sourced from PubChem (CID 19858099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).