3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide

C14H15FN2O3S — CID 28536732

IUPAC3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C14H15FN2O3S/c1-9-3-4-10(7-12(9)15)17-21(18,19)11-5-6-14(20-2)13(16)8-11/h3-8,17H,16H2,1-2H3
InChIKeyIQDQFOYXIMHJIR-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide

3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 28536732) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
PubChem CID28536732
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1N
InChIInChI=1S/C14H15FN2O3S/c1-9-3-4-10(7-12(9)15)17-21(18,19)11-5-6-14(20-2)13(16)8-11/h3-8,17H,16H2,1-2H3
InChIKeyIQDQFOYXIMHJIR-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

3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide (CID 28536732) is 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1N.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is IQDQFOYXIMHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-3-4-10(7-12(9)15)17-21(18,19)11-5-6-14(20-2)13(16)8-11/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide?
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide 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-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 28536732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).