3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide

C9H11ClN2O3S — CID 18373522

IUPAC3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C9H11ClN2O3S/c1-2-5-12-16(14,15)9-6(10)3-4-7(11)8(9)13/h2-4,12-13H,1,5,11H2
InChIKeyARBAXZHTRNQBKM-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide

3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 18373522) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide
PubChem CID18373522
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C9H11ClN2O3S/c1-2-5-12-16(14,15)9-6(10)3-4-7(11)8(9)13/h2-4,12-13H,1,5,11H2
InChIKeyARBAXZHTRNQBKM-UHFFFAOYSA-N
XLogP1.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.09
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide (CID 18373522) is 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1c(Cl)ccc(N)c1O.
What is the InChIKey of 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is ARBAXZHTRNQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-2-5-12-16(14,15)9-6(10)3-4-7(11)8(9)13/h2-4,12-13H,1,5,11H2.
What are the key properties of 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide?
3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 262.72 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 18373522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).