1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide

C16H14FN3O2S — CID 110668658

IUPAC1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H14FN3O2S/c17-14-6-4-12(5-7-14)10-23(21,22)20-15-3-1-2-13(8-15)16-9-18-11-19-16/h1-9,11,20H,10H2,(H,18,19)
InChIKeyMPWXCARNPNSXSX-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide

1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide (PubChem CID 110668658) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide
PubChem CID110668658
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H14FN3O2S/c17-14-6-4-12(5-7-14)10-23(21,22)20-15-3-1-2-13(8-15)16-9-18-11-19-16/h1-9,11,20H,10H2,(H,18,19)
InChIKeyMPWXCARNPNSXSX-UHFFFAOYSA-N
XLogP3.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 84512961
1-(4-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 22081061
1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
CID 110872384
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110668633
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
CID 6482257
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286051
N-(2-chloro-4-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
CID 103944038
1-(4-fluorophenyl)-N-[4-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-chromen-6-yl]methanesulfonamide
CID 59397286
1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
CID 86804588
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122286053

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide (CID 110668658) is 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is MPWXCARNPNSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-14-6-4-12(5-7-14)10-23(21,22)20-15-3-1-2-13(8-15)16-9-18-11-19-16/h1-9,11,20H,10H2,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(1H-imidazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 110668658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).