2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide

C13H12F2N2O3S — CID 28523723

IUPAC2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(N)c1
InChIInChI=1S/C13H12F2N2O3S/c1-20-9-3-5-13(12(16)7-9)21(18,19)17-8-2-4-10(14)11(15)6-8/h2-7,17H,16H2,1H3
InChIKeyDQEPKSKEHGUKPA-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.36
Rot. Bonds4

About 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide

2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 28523723) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID28523723
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(N)c1
InChIInChI=1S/C13H12F2N2O3S/c1-20-9-3-5-13(12(16)7-9)21(18,19)17-8-2-4-10(14)11(15)6-8/h2-7,17H,16H2,1H3
InChIKeyDQEPKSKEHGUKPA-UHFFFAOYSA-N
XLogP2.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide (CID 28523723) is 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(N)c1.
What is the InChIKey of 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is DQEPKSKEHGUKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-20-9-3-5-13(12(16)7-9)21(18,19)17-8-2-4-10(14)11(15)6-8/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 28523723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).