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

C12H10F2N2O3S — CID 61076963

IUPAC3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccc(F)c2F)ccc1O
InChIInChI=1S/C12H10F2N2O3S/c13-8-2-1-3-10(12(8)14)16-20(18,19)7-4-5-11(17)9(15)6-7/h1-6,16-17H,15H2
InChIKeyMQJGSXUOTXEGIP-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.05
Rot. Bonds3

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

3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide (PubChem CID 61076963) has the molecular formula C12H10F2N2O3S and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
PubChem CID61076963
Molecular FormulaC12H10F2N2O3S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccc(F)c2F)ccc1O
InChIInChI=1S/C12H10F2N2O3S/c13-8-2-1-3-10(12(8)14)16-20(18,19)7-4-5-11(17)9(15)6-7/h1-6,16-17H,15H2
InChIKeyMQJGSXUOTXEGIP-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
3-amino-4-hydroxy-N-phenylbenzenesulfonamide;hydrochloride
CID 3018876
6-amino-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 62147251
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
4-amino-3-fluoro-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 82843952
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-amino-4-bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 115329158

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide (CID 61076963) is 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cccc(F)c2F)ccc1O.
What is the InChIKey of 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide?
The InChIKey is MQJGSXUOTXEGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3S/c13-8-2-1-3-10(12(8)14)16-20(18,19)7-4-5-11(17)9(15)6-7/h1-6,16-17H,15H2.
What are the key properties of 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide?
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide has a molecular weight of 300.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 61076963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).