2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride

C14H18ClNO4S — CID 65396832

IUPAC2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NCC2CCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-2-11-3-4-12(7-13(11)21(15,18)19)14(17)16-8-10-5-6-20-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyLAMNLLPSZWSMOE-UHFFFAOYSA-N
MW331.82 g/mol
LogP1.94
Rot. Bonds5

About 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride

2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65396832) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65396832
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)NCC2CCOC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-2-11-3-4-12(7-13(11)21(15,18)19)14(17)16-8-10-5-6-20-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17)
InChIKeyLAMNLLPSZWSMOE-UHFFFAOYSA-N
XLogP1.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563
5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65370930
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 113379822
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
2-chloro-4-fluoro-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65397219
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385
4-ethyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715253
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride (CID 65396832) is 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride is CCc1ccc(C(=O)NCC2CCOC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is LAMNLLPSZWSMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-2-11-3-4-12(7-13(11)21(15,18)19)14(17)16-8-10-5-6-20-9-10/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride?
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65396832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).