N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide

C16H16FNO2S — CID 44546125

IUPACN-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO2S/c1-13-7-9-16(10-8-13)21(19,20)18-11-3-5-14-4-2-6-15(17)12-14/h2-10,12,18H,11H2,1H3/b5-3+
InChIKeyLUWFFIQRRHOWRL-HWKANZROSA-N
MW305.37 g/mol
LogP3.13
Rot. Bonds5

About N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide

N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 44546125) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID44546125
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO2S/c1-13-7-9-16(10-8-13)21(19,20)18-11-3-5-14-4-2-6-15(17)12-14/h2-10,12,18H,11H2,1H3/b5-3+
InChIKeyLUWFFIQRRHOWRL-HWKANZROSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
N-[(E)-4-chlorobut-2-enyl]-3-fluorobenzenesulfonamide
CID 81430522
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
N-[(E)-3-(4,5-dimethylcyclohexa-1,4-dien-1-yl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 11573278
N-[2-[2-[(E)-3-(3-fluorophenyl)prop-2-enoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 9474876
N-[(3-ethenylphenyl)methyl]-4-methylbenzenesulfonamide
CID 175348240
5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 70124830
3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 159858709

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide (CID 44546125) is N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is LUWFFIQRRHOWRL-HWKANZROSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-13-7-9-16(10-8-13)21(19,20)18-11-3-5-14-4-2-6-15(17)12-14/h2-10,12,18H,11H2,1H3/b5-3+.
What are the key properties of N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide?
N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 44546125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).