N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide

C16H16FNO2S — CID 112788088

IUPACN-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-2-12-18(13-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h2-11H,1,12-13H2
InChIKeyBERDBHGDSJGDOL-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.20
Rot. Bonds6

About N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide

N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide (PubChem CID 112788088) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
PubChem CID112788088
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2S/c1-2-12-18(13-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h2-11H,1,12-13H2
InChIKeyBERDBHGDSJGDOL-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 112788087
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
CID 50894603
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
4-[[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-oxidobenzamide
CID 20967378
N-benzyl-4-fluoro-N-[[4-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide
CID 46886359
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907
2-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]acetic acid
CID 43440466
4-[[benzenesulfonyl(prop-2-enyl)amino]methyl]-N-[(2R)-butan-2-yl]benzamide
CID 125043031

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide (CID 112788088) is N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is BERDBHGDSJGDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-2-12-18(13-14-6-4-3-5-7-14)21(19,20)16-10-8-15(17)9-11-16/h2-11H,1,12-13H2.
What are the key properties of N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide?
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 112788088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).