3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide

C10H15FN2O2S — CID 62813181

IUPAC3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCN)ccc1F
InChIInChI=1S/C10H15FN2O2S/c1-8-7-9(3-4-10(8)11)13-16(14,15)6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyPUBIXMWACQIWEC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.22
Rot. Bonds5

About 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide

3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide (PubChem CID 62813181) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
PubChem CID62813181
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCN)ccc1F
InChIInChI=1S/C10H15FN2O2S/c1-8-7-9(3-4-10(8)11)13-16(14,15)6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyPUBIXMWACQIWEC-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
4-amino-N-(4-fluoro-3-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79569216
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 54944704
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
CID 54944430
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65484346
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propane-1-sulfonamide
CID 54944928

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide (CID 62813181) is 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide is Cc1cc(NS(=O)(=O)CCCN)ccc1F.
What is the InChIKey of 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide?
The InChIKey is PUBIXMWACQIWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-8-7-9(3-4-10(8)11)13-16(14,15)6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3.
What are the key properties of 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide?
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 62813181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).