N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide

C15H16FNO2S — CID 47103944

IUPACN-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO2S/c1-12-4-3-5-15(10-12)20(18,19)17(2)11-13-6-8-14(16)9-7-13/h3-10H,11H2,1-2H3
InChIKeyLSIWJBAASKWNHC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.95
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide

N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide (PubChem CID 47103944) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
PubChem CID47103944
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNO2S/c1-12-4-3-5-15(10-12)20(18,19)17(2)11-13-6-8-14(16)9-7-13/h3-10H,11H2,1-2H3
InChIKeyLSIWJBAASKWNHC-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-(4-fluorophenyl)-3-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 42842072
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 43256607
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide (CID 47103944) is N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
The InChIKey is LSIWJBAASKWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-12-4-3-5-15(10-12)20(18,19)17(2)11-13-6-8-14(16)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 47103944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).