4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide

C15H17ClN2O2S — CID 115329455

IUPAC4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-14(17)13(16)10-12/h4-10H,3,17H2,1-2H3
InChIKeyLTGCBBTYKXPIKN-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.45
Rot. Bonds4

About 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide

4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 115329455) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID115329455
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccccc1C)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-14(17)13(16)10-12/h4-10H,3,17H2,1-2H3
InChIKeyLTGCBBTYKXPIKN-UHFFFAOYSA-N
XLogP3.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 28548784
3-bromo-4-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 106610736
6-amino-5-chloro-N-ethyl-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 64606773
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
CID 100510086
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
N-(2-aminophenyl)-3-bromo-N-ethylbenzenesulfonamide
CID 62101486
2-chloro-4-[2-(dipropylamino)phenyl]sulfonylaniline
CID 56990220
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115329710
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide (CID 115329455) is 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide is CCN(c1ccccc1C)S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is LTGCBBTYKXPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-18(15-7-5-4-6-11(15)2)21(19,20)12-8-9-14(17)13(16)10-12/h4-10H,3,17H2,1-2H3.
What are the key properties of 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide?
4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 115329455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).