2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride

C15H22ClNO3S — CID 65372640

IUPAC2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)N(CC)CC(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H22ClNO3S/c1-5-12-7-8-13(9-14(12)21(16,19)20)15(18)17(6-2)10-11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyKWERQPJFJZYZQK-UHFFFAOYSA-N
MW331.87 g/mol
LogP3.29
Rot. Bonds6

About 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride

2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65372640) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65372640
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)N(CC)CC(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H22ClNO3S/c1-5-12-7-8-13(9-14(12)21(16,19)20)15(18)17(6-2)10-11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyKWERQPJFJZYZQK-UHFFFAOYSA-N
XLogP3.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65369018
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-3-fluorobenzenesulfonyl chloride
CID 65372257
5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride
CID 65370308
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363545
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride (CID 65372640) is 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride is CCc1ccc(C(=O)N(CC)CC(C)C)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is KWERQPJFJZYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-5-12-7-8-13(9-14(12)21(16,19)20)15(18)17(6-2)10-11(3)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride?
2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 331.87 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).