N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

C11H12F3N3O2S — CID 83058649

IUPACN-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12F3N3O2S/c12-11(13,14)6-3-7-20(18,19)17-10-15-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H2,15,16,17)
InChIKeyGKYQFZWXXBNDGW-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.65
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058649) has the molecular formula C11H12F3N3O2S and a molecular weight of 307.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058649
Molecular FormulaC11H12F3N3O2S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC NameN-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12F3N3O2S/c12-11(13,14)6-3-7-20(18,19)17-10-15-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H2,15,16,17)
InChIKeyGKYQFZWXXBNDGW-UHFFFAOYSA-N
XLogP2.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
CID 63562812
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
CID 63564272
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 63564268
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586327
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-[1-(trifluoromethyl)cyclopropyl]-1H-benzimidazol-2-amine
CID 106214801
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63563710

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83058649) is N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is GKYQFZWXXBNDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S/c12-11(13,14)6-3-7-20(18,19)17-10-15-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H2,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 307.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).