N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide

C15H12F3N3O3S — CID 6735005

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)24-12-7-3-4-8-13(12)25(22,23)19-9-14-20-10-5-1-2-6-11(10)21-14/h1-8,19H,9H2,(H,20,21)
InChIKeyUGVBUWGZSASDSM-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.94
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 6735005) has the molecular formula C15H12F3N3O3S and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID6735005
Molecular FormulaC15H12F3N3O3S
Molecular Weight371.34 g/mol
Exact Mass371.06
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1nc2ccccc2[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)24-12-7-3-4-8-13(12)25(22,23)19-9-14-20-10-5-1-2-6-11(10)21-14/h1-8,19H,9H2,(H,20,21)
InChIKeyUGVBUWGZSASDSM-UHFFFAOYSA-N
XLogP2.94
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
CID 78991619
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
CID 75396723
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 120723919

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 6735005) is N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UGVBUWGZSASDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3S/c16-15(17,18)24-12-7-3-4-8-13(12)25(22,23)19-9-14-20-10-5-1-2-6-11(10)21-14/h1-8,19H,9H2,(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 371.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 6735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).