5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide

C13H12F2N2O3S — CID 79902338

IUPAC5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1c(Oc2ccc(F)c(F)c2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H12F2N2O3S/c1-7-12(4-8(16)5-13(7)21(17,18)19)20-9-2-3-10(14)11(15)6-9/h2-6H,16H2,1H3,(H2,17,18,19)
InChIKeyJWNBJHOIZSPHOD-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.30
Rot. Bonds3

About 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide

5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide (PubChem CID 79902338) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide
PubChem CID79902338
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide
SMILESCc1c(Oc2ccc(F)c(F)c2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H12F2N2O3S/c1-7-12(4-8(16)5-13(7)21(17,18)19)20-9-2-3-10(14)11(15)6-9/h2-6H,16H2,1H3,(H2,17,18,19)
InChIKeyJWNBJHOIZSPHOD-UHFFFAOYSA-N
XLogP2.30
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.30
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

5-amino-3-(4-bromo-3-fluorophenoxy)-2-methylbenzenesulfonamide
CID 79902365
5-amino-3-(3,4-difluorophenyl)sulfanyl-2-methylbenzenesulfonamide
CID 79902570
5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
CID 79904803
2-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112573012
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
CID 82900296
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
CID 104559989
5-amino-3-hydroxy-2-methylbenzenesulfonamide
CID 79904666
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide
CID 79904949
4-(2,5-dichlorophenoxy)-2-methylbenzenesulfonamide
CID 43436524
5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 79904731

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide (CID 79902338) is 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide is Cc1c(Oc2ccc(F)c(F)c2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide?
The InChIKey is JWNBJHOIZSPHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-7-12(4-8(16)5-13(7)21(17,18)19)20-9-2-3-10(14)11(15)6-9/h2-6H,16H2,1H3,(H2,17,18,19).
What are the key properties of 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide?
5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,4-difluorophenoxy)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79902338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).