3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide

C14H15FN2O3S — CID 115421139

IUPAC3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C)c(F)c(N)c1
InChIInChI=1S/C14H15FN2O3S/c1-9-7-10(8-11(16)14(9)15)21(18,19)17-12-5-3-4-6-13(12)20-2/h3-8,17H,16H2,1-2H3
InChIKeyTZIHIRRSZXKSLU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide

3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide (PubChem CID 115421139) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
PubChem CID115421139
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C)c(F)c(N)c1
InChIInChI=1S/C14H15FN2O3S/c1-9-7-10(8-11(16)14(9)15)21(18,19)17-12-5-3-4-6-13(12)20-2/h3-8,17H,16H2,1-2H3
InChIKeyTZIHIRRSZXKSLU-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
3-amino-N-(4-chloro-2-iodophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624621
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
3-amino-N-(2-chloro-5-methylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624529
3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide (CID 115421139) is 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc(C)c(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide?
The InChIKey is TZIHIRRSZXKSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-7-10(8-11(16)14(9)15)21(18,19)17-12-5-3-4-6-13(12)20-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide?
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 115421139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).