N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide

C15H16FNO2S — CID 96566606

IUPACN-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H16FNO2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-10-12(2)9-13(16)11-15/h4-11H,3H2,1-2H3
InChIKeyXZKQWPLJNGKZLH-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.35
Rot. Bonds4

About N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide

N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide (PubChem CID 96566606) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide
PubChem CID96566606
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C15H16FNO2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-10-12(2)9-13(16)11-15/h4-11H,3H2,1-2H3
InChIKeyXZKQWPLJNGKZLH-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-(3,5-difluorophenyl)sulfonylanilino)propanamide
CID 38893186
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
CID 43275766
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide (CID 96566606) is N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C)cc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide?
The InChIKey is XZKQWPLJNGKZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-3-17(14-7-5-4-6-8-14)20(18,19)15-10-12(2)9-13(16)11-15/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide?
N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-5-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 96566606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).