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

C14H15FN2O3S — CID 43380676

IUPAC4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N)cc2C)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-9-7-10(16)3-6-14(9)21(18,19)17-11-4-5-13(20-2)12(15)8-11/h3-8,17H,16H2,1-2H3
InChIKeyAGVKFDRUPOUUIX-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.53
Rot. Bonds4

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

4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 43380676) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID43380676
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N)cc2C)cc1F
InChIInChI=1S/C14H15FN2O3S/c1-9-7-10(16)3-6-14(9)21(18,19)17-11-4-5-13(20-2)12(15)8-11/h3-8,17H,16H2,1-2H3
InChIKeyAGVKFDRUPOUUIX-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

2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide (CID 43380676) is 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(N)cc2C)cc1F.
What is the InChIKey of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is AGVKFDRUPOUUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9-7-10(16)3-6-14(9)21(18,19)17-11-4-5-13(20-2)12(15)8-11/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-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 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43380676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).