5-amino-2-chloro-N,N-dimethylbenzenesulfonamide

C8H11ClN2O2S — CID 3613938

IUPAC5-amino-2-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)8-5-6(10)3-4-7(8)9/h3-5H,10H2,1-2H3
InChIKeyODCHLWPLEOVWHX-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.17
Rot. Bonds2

About 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide

5-amino-2-chloro-N,N-dimethylbenzenesulfonamide (PubChem CID 3613938) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N,N-dimethylbenzenesulfonamide
PubChem CID3613938
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name5-amino-2-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)8-5-6(10)3-4-7(8)9/h3-5H,10H2,1-2H3
InChIKeyODCHLWPLEOVWHX-UHFFFAOYSA-N
XLogP1.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.17
H-Bond Donors ≤ 51
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 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide (CID 3613938) is 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide?
The InChIKey is ODCHLWPLEOVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-11(2)14(12,13)8-5-6(10)3-4-7(8)9/h3-5H,10H2,1-2H3.
What are the key properties of 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide?
5-amino-2-chloro-N,N-dimethylbenzenesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3613938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).