2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide

C15H16FNO2S — CID 18192076

IUPAC2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2S/c1-12(13-8-4-3-5-9-13)17(2)20(18,19)15-11-7-6-10-14(15)16/h3-12H,1-2H3
InChIKeyUIAICDZRJXWTRE-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.21
Rot. Bonds4

About 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide

2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 18192076) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID18192076
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(c1ccccc1)N(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2S/c1-12(13-8-4-3-5-9-13)17(2)20(18,19)15-11-7-6-10-14(15)16/h3-12H,1-2H3
InChIKeyUIAICDZRJXWTRE-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
3-fluoro-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-5-sulfonamide
CID 140732873
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-[(1R)-1-cyclopropylethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 93042358
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
3-fluoro-N-[(4-fluorophenyl)-phenylmethyl]-N,2-dimethylbenzenesulfonamide
CID 139014948
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide (CID 18192076) is 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide is CC(c1ccccc1)N(C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is UIAICDZRJXWTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-12(13-8-4-3-5-9-13)17(2)20(18,19)15-11-7-6-10-14(15)16/h3-12H,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide?
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 18192076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).