N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide

C14H12FN3O2S — CID 63564268

IUPACN-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H12FN3O2S/c15-11-7-5-10(6-8-11)9-21(19,20)18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H2,16,17,18)
InChIKeyNBRCJDYGPMXOHO-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.64
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide

N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 63564268) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID63564268
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H12FN3O2S/c15-11-7-5-10(6-8-11)9-21(19,20)18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H2,16,17,18)
InChIKeyNBRCJDYGPMXOHO-UHFFFAOYSA-N
XLogP2.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058649
N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
CID 63562812
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
N-(1H-benzimidazol-2-yl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79586327
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
CID 63564272
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide
CID 63564636
N-(2H-benzotriazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110732229
3-[(4-fluorophenyl)methylamino]-1H-quinoxalin-2-one
CID 47000996

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide (CID 63564268) is N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is NBRCJDYGPMXOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-11-7-5-10(6-8-11)9-21(19,20)18-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H2,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide?
N-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.64, 4 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)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 63564268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).