3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride

C10H12ClNO3S — CID 65368215

IUPAC3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride
SMILESCCNC(=O)c1cc(C)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H12ClNO3S/c1-3-12-10(13)8-4-7(2)5-9(6-8)16(11,14)15/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyALMMWSZFVSIRJW-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.67
Rot. Bonds3

About 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride

3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride (PubChem CID 65368215) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride
PubChem CID65368215
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride
SMILESCCNC(=O)c1cc(C)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C10H12ClNO3S/c1-3-12-10(13)8-4-7(2)5-9(6-8)16(11,14)15/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyALMMWSZFVSIRJW-UHFFFAOYSA-N
XLogP1.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(2-prop-2-ynylsulfanylethylcarbamoyl)benzenesulfonyl chloride
CID 106428451
2-methoxyethyl 3-chlorosulfonyl-5-methylbenzoate
CID 65375465
3-bromo-5-(2,2-dimethylpropylcarbamoyl)benzenesulfonyl chloride
CID 65371168
3-methyl-5-[(3-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 114546480
3-[cyclopropylmethyl(ethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65395912
3-methyl-5-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82737601
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
3-[cyclopropyl(2-methoxyethyl)carbamoyl]-5-methylbenzenesulfonyl chloride
CID 65372530
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
3-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371520
3-bromo-5-[(2-ethoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 114942395

Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride?
The IUPAC name of 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride (CID 65368215) is 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride is CCNC(=O)c1cc(C)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride?
The InChIKey is ALMMWSZFVSIRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-3-12-10(13)8-4-7(2)5-9(6-8)16(11,14)15/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride?
3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride has a molecular weight of 261.73 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoyl)-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65368215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).