N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide

C15H13FN2O2S — CID 61061992

IUPACN-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C15H13FN2O2S/c1-11-5-6-14(16)8-15(11)21(19,20)18-10-13-4-2-3-12(7-13)9-17/h2-8,18H,10H2,1H3
InChIKeyBJQVKYITDKHENR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.48
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide

N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 61061992) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID61061992
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C15H13FN2O2S/c1-11-5-6-14(16)8-15(11)21(19,20)18-10-13-4-2-3-12(7-13)9-17/h2-8,18H,10H2,1H3
InChIKeyBJQVKYITDKHENR-UHFFFAOYSA-N
XLogP2.48
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 115753827
5-amino-2-bromo-N-[(3-cyanophenyl)methyl]benzenesulfonamide
CID 65206824
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 39657352
3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]benzonitrile
CID 60711205
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 75493750
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
N-[3-[benzyl(methyl)amino]propyl]-5-cyano-2-methylbenzenesulfonamide
CID 113236088
3-[(2,5-dimethylphenyl)sulfonylmethyl]benzonitrile
CID 60731180

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide (CID 61061992) is N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is BJQVKYITDKHENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-11-5-6-14(16)8-15(11)21(19,20)18-10-13-4-2-3-12(7-13)9-17/h2-8,18H,10H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 61061992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).