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

C15H17ClN2O2S — CID 62001633

IUPAC4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(13-7-4-11(2)5-8-13)21(19,20)15-9-6-12(17)10-14(15)16/h4-10H,3,17H2,1-2H3
InChIKeyHRSFCXUWMXHKSM-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.45
Rot. Bonds4

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

4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 62001633) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID62001633
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(13-7-4-11(2)5-8-13)21(19,20)15-9-6-12(17)10-14(15)16/h4-10H,3,17H2,1-2H3
InChIKeyHRSFCXUWMXHKSM-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'}

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Related Compounds

N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 63234087
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
N-(4-aminophenyl)-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 63233523
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143
5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733551
3-chloro-4-pentan-3-ylsulfonylaniline
CID 81181473
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
2-amino-N-ethyl-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62158760
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide (CID 62001633) is 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide is CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is HRSFCXUWMXHKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-18(13-7-4-11(2)5-8-13)21(19,20)15-9-6-12(17)10-14(15)16/h4-10H,3,17H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide?
4-amino-2-chloro-N-ethyl-N-(4-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-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62001633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).