4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C12H16FNO3S — CID 99790503

IUPAC4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H16FNO3S/c1-9(2)8-14(3)18(15,16)10-5-6-11(13)12(7-10)17-4/h5-7H,1,8H2,2-4H3
InChIKeyAOKGHTBSFLOSAG-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.03
Rot. Bonds5

About 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 99790503) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID99790503
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H16FNO3S/c1-9(2)8-14(3)18(15,16)10-5-6-11(13)12(7-10)17-4/h5-7H,1,8H2,2-4H3
InChIKeyAOKGHTBSFLOSAG-UHFFFAOYSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114626217
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 28546084
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
4-chloro-3-(hydroxymethyl)-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498824
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
3-chloro-4-cyano-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356116
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
methyl 2-[(3-amino-4-methoxyphenyl)sulfonyl-methylamino]acetate
CID 29277374
2-[(3-acetamido-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8797485
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794488

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 99790503) is 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(C)S(=O)(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is AOKGHTBSFLOSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9(2)8-14(3)18(15,16)10-5-6-11(13)12(7-10)17-4/h5-7H,1,8H2,2-4H3.
What are the key properties of 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 99790503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).