N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide

C17H16FN3O2S — CID 47958616

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-2-5-15(6-3-13)24(22,23)20-11-14-4-7-17(16(18)10-14)21-9-8-19-12-21/h2-10,12,20H,11H2,1H3
InChIKeyCTAGHLFUNMJYJM-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.80
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 47958616) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID47958616
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-2-5-15(6-3-13)24(22,23)20-11-14-4-7-17(16(18)10-14)21-9-8-19-12-21/h2-10,12,20H,11H2,1H3
InChIKeyCTAGHLFUNMJYJM-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 60585065
1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 86984381
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3770733
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-[[3-fluoro-4-(5-methoxybenzotriazol-1-yl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 164599787
3-chloro-4-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 60587219
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
1-[2-fluoro-4-(isocyanatomethyl)phenyl]imidazole
CID 117308930
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide (CID 47958616) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is CTAGHLFUNMJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-13-2-5-15(6-3-13)24(22,23)20-11-14-4-7-17(16(18)10-14)21-9-8-19-12-21/h2-10,12,20H,11H2,1H3.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 47958616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).