5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride

C15H20ClNO3S — CID 65397254

IUPAC5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride
SMILESCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c(C)cc1C
InChIInChI=1S/C15H20ClNO3S/c1-4-17(9-12-5-6-12)15(18)13-8-14(21(16,19)20)11(3)7-10(13)2/h7-8,12H,4-6,9H2,1-3H3
InChIKeyZYGIZESSFPTVNL-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.10
Rot. Bonds5

About 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride

5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride (PubChem CID 65397254) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride
PubChem CID65397254
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride
SMILESCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c(C)cc1C
InChIInChI=1S/C15H20ClNO3S/c1-4-17(9-12-5-6-12)15(18)13-8-14(21(16,19)20)11(3)7-10(13)2/h7-8,12H,4-6,9H2,1-3H3
InChIKeyZYGIZESSFPTVNL-UHFFFAOYSA-N
XLogP3.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride 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-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 63957017
5-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]-2-fluorobenzenesulfonyl chloride
CID 65396485
3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65395912
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
2,4-dimethyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371687
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
CID 65388297
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787
N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65388304
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032
2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride?
The IUPAC name of 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride (CID 65397254) is 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride is CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)Cl)c(C)cc1C.
What is the InChIKey of 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride?
The InChIKey is ZYGIZESSFPTVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-4-17(9-12-5-6-12)15(18)13-8-14(21(16,19)20)11(3)7-10(13)2/h7-8,12H,4-6,9H2,1-3H3.
What are the key properties of 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride?
5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 65397254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).