4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide

C16H16FNO3S — CID 100691508

IUPAC4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
SMILESC=CCOc1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C16H16FNO3S/c1-3-9-21-15-6-4-5-14(11-15)18-22(19,20)16-8-7-13(17)10-12(16)2/h3-8,10-11,18H,1,9H2,2H3
InChIKeyMSORGSOYCNGCPY-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.50
Rot. Bonds6

About 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide

4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide (PubChem CID 100691508) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
PubChem CID100691508
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC Name4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
SMILESC=CCOc1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1
InChIInChI=1S/C16H16FNO3S/c1-3-9-21-15-6-4-5-14(11-15)18-22(19,20)16-8-7-13(17)10-12(16)2/h3-8,10-11,18H,1,9H2,2H3
InChIKeyMSORGSOYCNGCPY-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfonyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 94664257
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-fluoro-2-methyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 24656443
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
2-amino-N-(3-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 61126103
5-amino-N-(3-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 61125171
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490
N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 62315894
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide (CID 100691508) is 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide is C=CCOc1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1.
What is the InChIKey of 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
The InChIKey is MSORGSOYCNGCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-3-9-21-15-6-4-5-14(11-15)18-22(19,20)16-8-7-13(17)10-12(16)2/h3-8,10-11,18H,1,9H2,2H3.
What are the key properties of 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 100691508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).