3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide

C12H11ClN2O3S — CID 3604951

IUPAC3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C12H11ClN2O3S/c13-8-2-1-3-9(6-8)15-19(17,18)10-4-5-12(16)11(14)7-10/h1-7,15-16H,14H2
InChIKeyANLCKXQKXHOMGI-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.43
Rot. Bonds3

About 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide

3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide (PubChem CID 3604951) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide
PubChem CID3604951
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C12H11ClN2O3S/c13-8-2-1-3-9(6-8)15-19(17,18)10-4-5-12(16)11(14)7-10/h1-7,15-16H,14H2
InChIKeyANLCKXQKXHOMGI-UHFFFAOYSA-N
XLogP2.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide (CID 3604951) is 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O.
What is the InChIKey of 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide?
The InChIKey is ANLCKXQKXHOMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-8-2-1-3-9(6-8)15-19(17,18)10-4-5-12(16)11(14)7-10/h1-7,15-16H,14H2.
What are the key properties of 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide?
3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chlorophenyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 3604951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).