3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide

C14H15FN2O2S — CID 115421074

IUPAC3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C)c(F)c(N)c2)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-4-3-5-11(6-9)17-20(18,19)12-7-10(2)14(15)13(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyATTCZGDLLFRWEG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide

3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 115421074) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID115421074
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C)c(F)c(N)c2)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-4-3-5-11(6-9)17-20(18,19)12-7-10(2)14(15)13(16)8-12/h3-8,17H,16H2,1-2H3
InChIKeyATTCZGDLLFRWEG-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
3-amino-4-fluoro-5-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 115421305
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzenesulfonamide
CID 20703904
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 115421074) is 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(C)c(F)c(N)c2)c1.
What is the InChIKey of 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is ATTCZGDLLFRWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-4-3-5-11(6-9)17-20(18,19)12-7-10(2)14(15)13(16)8-12/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 115421074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).