2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide

C14H15ClN2O2S — CID 28524364

IUPAC2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H15ClN2O2S/c1-2-10-5-3-4-6-13(10)17-20(18,19)14-8-7-11(15)9-12(14)16/h3-9,17H,2,16H2,1H3
InChIKeyVSCYQBLDQMAKLR-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide

2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide (PubChem CID 28524364) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
PubChem CID28524364
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H15ClN2O2S/c1-2-10-5-3-4-6-13(10)17-20(18,19)14-8-7-11(15)9-12(14)16/h3-9,17H,2,16H2,1H3
InChIKeyVSCYQBLDQMAKLR-UHFFFAOYSA-N
XLogP3.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
CID 28542938
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
2-amino-4-chloro-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039815
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
2,4-dichloro-N-[2-[(2,4-dichlorophenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 70137943
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide (CID 28524364) is 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide?
The InChIKey is VSCYQBLDQMAKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-2-10-5-3-4-6-13(10)17-20(18,19)14-8-7-11(15)9-12(14)16/h3-9,17H,2,16H2,1H3.
What are the key properties of 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide?
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 28524364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).