4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide

C12H16ClNO3S — CID 142910845

IUPAC4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Cl)c(C(=O)C(C)C)c1
InChIInChI=1S/C12H16ClNO3S/c1-4-14-18(16,17)9-5-6-11(13)10(7-9)12(15)8(2)3/h5-8,14H,4H2,1-3H3
InChIKeyZPAPBBWEUOYCNH-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.48
Rot. Bonds5

About 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide

4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 142910845) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide
PubChem CID142910845
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Cl)c(C(=O)C(C)C)c1
InChIInChI=1S/C12H16ClNO3S/c1-4-14-18(16,17)9-5-6-11(13)10(7-9)12(15)8(2)3/h5-8,14H,4H2,1-3H3
InChIKeyZPAPBBWEUOYCNH-UHFFFAOYSA-N
XLogP2.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
3-chloro-N,4-diethylbenzenesulfonamide
CID 165445797
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
N-(2-chlorophenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35345609
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229
2-chloro-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide (CID 142910845) is 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(Cl)c(C(=O)C(C)C)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is ZPAPBBWEUOYCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-4-14-18(16,17)9-5-6-11(13)10(7-9)12(15)8(2)3/h5-8,14H,4H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide?
4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 142910845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).