5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C13H12F2N2O3S — CID 107699455

IUPAC5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)cc(F)c2F)cc1O
InChIInChI=1S/C13H12F2N2O3S/c1-7-2-3-9(6-11(7)18)17-21(19,20)12-5-8(16)4-10(14)13(12)15/h2-6,17-18H,16H2,1H3
InChIKeyZDUHGTWMURDIDR-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.36
Rot. Bonds3

About 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 107699455) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID107699455
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(N)cc(F)c2F)cc1O
InChIInChI=1S/C13H12F2N2O3S/c1-7-2-3-9(6-11(7)18)17-21(19,20)12-5-8(16)4-10(14)13(12)15/h2-6,17-18H,16H2,1H3
InChIKeyZDUHGTWMURDIDR-UHFFFAOYSA-N
XLogP2.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
5-amino-3-chloro-N-(3-chloro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258123
4-amino-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699512
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 107699455) is 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(N)cc(F)c2F)cc1O.
What is the InChIKey of 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is ZDUHGTWMURDIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-7-2-3-9(6-11(7)18)17-21(19,20)12-5-8(16)4-10(14)13(12)15/h2-6,17-18H,16H2,1H3.
What are the key properties of 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 107699455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).