2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide

C14H15FN2O3S — CID 43452572

IUPAC2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cccc2N)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-9-4-3-5-12(16)14(9)21(18,19)17-10-6-7-13(20-2)11(15)8-10/h3-8,17H,16H2,1-2H3
InChIKeyGWLYXVHHSRXTDP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide

2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide (PubChem CID 43452572) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
PubChem CID43452572
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cccc2N)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-9-4-3-5-12(16)14(9)21(18,19)17-10-6-7-13(20-2)11(15)8-10/h3-8,17H,16H2,1-2H3
InChIKeyGWLYXVHHSRXTDP-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

2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 155578468
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
CID 107620731
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
3-amino-N-(3-fluoro-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257764
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide (CID 43452572) is 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(C)cccc2N)cc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide?
The InChIKey is GWLYXVHHSRXTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-4-3-5-12(16)14(9)21(18,19)17-10-6-7-13(20-2)11(15)8-10/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide?
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-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 2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).