2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide

C10H15ClN2O2S — CID 28793905

IUPAC2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
SMILESCc1cc(Cl)ccc1N(C)S(=O)(=O)CCN
InChIInChI=1S/C10H15ClN2O2S/c1-8-7-9(11)3-4-10(8)13(2)16(14,15)6-5-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyBPLINGNYPQDXCA-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide

2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide (PubChem CID 28793905) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
PubChem CID28793905
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
SMILESCc1cc(Cl)ccc1N(C)S(=O)(=O)CCN
InChIInChI=1S/C10H15ClN2O2S/c1-8-7-9(11)3-4-10(8)13(2)16(14,15)6-5-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyBPLINGNYPQDXCA-UHFFFAOYSA-N
XLogP1.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide 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

4-chloro-N,N,2-trimethylaniline;ethane
CID 143418789
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 107465876
N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100532875
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
CID 107465899
N-(2,4-dimethylphenyl)-2-(ethylamino)-N-methylethanesulfonamide
CID 62003055
4-chloro-N,N-diethyl-2-methylaniline
CID 57028815
2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
CID 28793949
4-chloro-N,N-bis(2-chloroethyl)-2-methylaniline
CID 98591830
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
(2R)-2-(4-chloro-2-methyl-N-propylanilino)butanoic acid
CID 125045200
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide?
The IUPAC name of 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide (CID 28793905) is 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide is Cc1cc(Cl)ccc1N(C)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide?
The InChIKey is BPLINGNYPQDXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-8-7-9(11)3-4-10(8)13(2)16(14,15)6-5-12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide?
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 28793905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).