4-amino-2-chloro-N-ethylbenzenesulfonamide

C8H11ClN2O2S — CID 29043473

IUPAC4-amino-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-14(12,13)8-4-3-6(10)5-7(8)9/h3-5,11H,2,10H2,1H3
InChIKeyNUFGISAWONJDLQ-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.22
Rot. Bonds3

About 4-amino-2-chloro-N-ethylbenzenesulfonamide

4-amino-2-chloro-N-ethylbenzenesulfonamide (PubChem CID 29043473) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-ethylbenzenesulfonamide
PubChem CID29043473
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name4-amino-2-chloro-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-14(12,13)8-4-3-6(10)5-7(8)9/h3-5,11H,2,10H2,1H3
InChIKeyNUFGISAWONJDLQ-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-ethylbenzenesulfonamide (CID 29043473) is 4-amino-2-chloro-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-ethylbenzenesulfonamide?
The InChIKey is NUFGISAWONJDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-2-11-14(12,13)8-4-3-6(10)5-7(8)9/h3-5,11H,2,10H2,1H3.
What are the key properties of 4-amino-2-chloro-N-ethylbenzenesulfonamide?
4-amino-2-chloro-N-ethylbenzenesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-ethylbenzenesulfonamide is sourced from PubChem (CID 29043473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).