N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide

C11H15ClN2O3S — CID 32675868

IUPACN-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-8-3-4-11(10(12)7-8)18(16,17)14-6-5-13-9(2)15/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyQTOXMDBXCRRMIX-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.06
Rot. Bonds5

About N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 32675868) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID32675868
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-8-3-4-11(10(12)7-8)18(16,17)14-6-5-13-9(2)15/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyQTOXMDBXCRRMIX-UHFFFAOYSA-N
XLogP1.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide 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

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
N-[2-[[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]sulfonylamino]ethyl]acetamide
CID 60844582
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
N-[2-[(2,4-dichloro-5-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 100613309
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 32675868) is N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1Cl.
What is the InChIKey of N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is QTOXMDBXCRRMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-8-3-4-11(10(12)7-8)18(16,17)14-6-5-13-9(2)15/h3-4,7,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 290.77 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 32675868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).