3-fluoro-N-phenyl-N-propylbenzenesulfonamide

C15H16FNO2S — CID 142103274

IUPAC3-fluoro-N-phenyl-N-propylbenzenesulfonamide
SMILESCCCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H16FNO2S/c1-2-11-17(14-8-4-3-5-9-14)20(18,19)15-10-6-7-13(16)12-15/h3-10,12H,2,11H2,1H3
InChIKeyNZRGDELRWSVRJR-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.43
Rot. Bonds5

About 3-fluoro-N-phenyl-N-propylbenzenesulfonamide

3-fluoro-N-phenyl-N-propylbenzenesulfonamide (PubChem CID 142103274) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-fluoro-N-phenyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-phenyl-N-propylbenzenesulfonamide
PubChem CID142103274
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name3-fluoro-N-phenyl-N-propylbenzenesulfonamide
SMILESCCCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H16FNO2S/c1-2-11-17(14-8-4-3-5-9-14)20(18,19)15-10-6-7-13(16)12-15/h3-10,12H,2,11H2,1H3
InChIKeyNZRGDELRWSVRJR-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 46022862
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
CID 43275766
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide
CID 96566606
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-(benzenesulfonyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 91758496
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-phenyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-phenyl-N-propylbenzenesulfonamide (CID 142103274) is 3-fluoro-N-phenyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-phenyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-phenyl-N-propylbenzenesulfonamide is CCCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-phenyl-N-propylbenzenesulfonamide?
The InChIKey is NZRGDELRWSVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-2-11-17(14-8-4-3-5-9-14)20(18,19)15-10-6-7-13(16)12-15/h3-10,12H,2,11H2,1H3.
What are the key properties of 3-fluoro-N-phenyl-N-propylbenzenesulfonamide?
3-fluoro-N-phenyl-N-propylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-phenyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 142103274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).