2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide

C11H17ClN2O2S — CID 57246919

IUPAC2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)c(C)cc1N
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(5-2)17(15,16)11-7-9(12)8(3)6-10(11)13/h6-7H,4-5,13H2,1-3H3
InChIKeyPZKHGHCLYJIMAM-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide

2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide (PubChem CID 57246919) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide
PubChem CID57246919
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)c(C)cc1N
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(5-2)17(15,16)11-7-9(12)8(3)6-10(11)13/h6-7H,4-5,13H2,1-3H3
InChIKeyPZKHGHCLYJIMAM-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide 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

2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112904
4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide
CID 57295834
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
CID 114276936
5-amino-N,N-diethyl-2,4-difluorobenzenesulfonamide
CID 29269932
3-amino-4-(diethylsulfamoyl)benzamide
CID 81470581
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587327
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
CID 35290992

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide (CID 57246919) is 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(Cl)c(C)cc1N.
What is the InChIKey of 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide?
The InChIKey is PZKHGHCLYJIMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-14(5-2)17(15,16)11-7-9(12)8(3)6-10(11)13/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide?
2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 57246919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).