2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride

C12H15Cl2NO4S — CID 65398326

IUPAC2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCOCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-3-19-7-8(2)15-12(16)9-4-5-10(13)11(6-9)20(14,17)18/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyNEJMLOURSSWMBP-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.42
Rot. Bonds6

About 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride

2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65398326) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65398326
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCCOCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-3-19-7-8(2)15-12(16)9-4-5-10(13)11(6-9)20(14,17)18/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyNEJMLOURSSWMBP-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-ethoxypropan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65396599
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
2-chloro-5-(1-cyclopropylethylcarbamoyl)benzenesulfonyl chloride
CID 65370751
4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
2,4-dichloro-N-(1-ethoxypropan-2-yl)-5-sulfamoylbenzamide
CID 65389005
4-chloro-3-(1-ethoxypropan-2-ylsulfamoyl)benzenecarbothioamide
CID 80704211
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65398326) is 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride is CCOCC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is NEJMLOURSSWMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-3-19-7-8(2)15-12(16)9-4-5-10(13)11(6-9)20(14,17)18/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride?
2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 340.23 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-ethoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65398326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).