2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

C13H19ClN2O3S — CID 3606084

IUPAC2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-4-16(5-2)20(18,19)11-7-6-10(3)12(8-11)15-13(17)9-14/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyLAGMFKGOZAVOJR-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.20
Rot. Bonds6

About 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide

2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 3606084) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID3606084
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCl)c1
InChIInChI=1S/C13H19ClN2O3S/c1-4-16(5-2)20(18,19)11-7-6-10(3)12(8-11)15-13(17)9-14/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyLAGMFKGOZAVOJR-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7819474
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8827790
1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methylthiourea
CID 8628352
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132046
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 8904414
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7929037
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide (CID 3606084) is 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is LAGMFKGOZAVOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-16(5-2)20(18,19)11-7-6-10(3)12(8-11)15-13(17)9-14/h6-8H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide?
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 318.83 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 3606084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).