N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide

C22H24FN3O4S — CID 50824192

IUPACN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)C3CCCCC3)cc21
InChIInChI=1S/C22H24FN3O4S/c1-25-18-12-17(24-21(27)14-6-4-3-5-7-14)20(13-19(18)26(2)22(25)28)31(29,30)16-10-8-15(23)9-11-16/h8-14H,3-7H2,1-2H3,(H,24,27)
InChIKeyPDUJLRJEFWVOAC-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.37
Rot. Bonds4

About N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide

N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 50824192) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID50824192
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC NameN-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)C3CCCCC3)cc21
InChIInChI=1S/C22H24FN3O4S/c1-25-18-12-17(24-21(27)14-6-4-3-5-7-14)20(13-19(18)26(2)22(25)28)31(29,30)16-10-8-15(23)9-11-16/h8-14H,3-7H2,1-2H3,(H,24,27)
InChIKeyPDUJLRJEFWVOAC-UHFFFAOYSA-N
XLogP3.37
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide (CID 50824192) is N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)c3ccc(F)cc3)c(NC(=O)C3CCCCC3)cc21.
What is the InChIKey of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is PDUJLRJEFWVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-25-18-12-17(24-21(27)14-6-4-3-5-7-14)20(13-19(18)26(2)22(25)28)31(29,30)16-10-8-15(23)9-11-16/h8-14H,3-7H2,1-2H3,(H,24,27).
What are the key properties of N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide?
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 50824192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).