5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride

C13H18ClNO5S — CID 65368924

IUPAC5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)Cl)c(OC)cc1OC
InChIInChI=1S/C13H18ClNO5S/c1-5-15(6-2)13(16)9-7-12(21(14,17)18)11(20-4)8-10(9)19-3/h7-8H,5-6H2,1-4H3
InChIKeyMBRKTTUEWJFCGO-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.11
Rot. Bonds6

About 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride

5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride (PubChem CID 65368924) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
PubChem CID65368924
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
SMILESCCN(CC)C(=O)c1cc(S(=O)(=O)Cl)c(OC)cc1OC
InChIInChI=1S/C13H18ClNO5S/c1-5-15(6-2)13(16)9-7-12(21(14,17)18)11(20-4)8-10(9)19-3/h7-8H,5-6H2,1-4H3
InChIKeyMBRKTTUEWJFCGO-UHFFFAOYSA-N
XLogP2.11
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
propyl 5-chlorosulfonyl-2,4-dimethoxybenzoate
CID 65398639
N-ethyl-2,4-dimethoxy-N-methyl-5-sulfamoylbenzamide
CID 65375421
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
CID 158871695
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
2,4-dimethoxy-N,N-dimethyl-5-sulfamoylbenzamide
CID 65373113
5-bromo-2-chloro-3-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65368879
2,4-dimethoxy-5-propan-2-ylsulfonylbenzenesulfonyl chloride
CID 13179810
4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
CID 10517227
N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 31369496
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
N,N-diethyl-3,4-dimethoxy-2-propan-2-yl-5-sulfamoylbenzamide
CID 23353687

Frequently Asked Questions

What is the IUPAC name of 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride?
The IUPAC name of 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride (CID 65368924) is 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride is CCN(CC)C(=O)c1cc(S(=O)(=O)Cl)c(OC)cc1OC.
What is the InChIKey of 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride?
The InChIKey is MBRKTTUEWJFCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-5-15(6-2)13(16)9-7-12(21(14,17)18)11(20-4)8-10(9)19-3/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride?
5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride has a molecular weight of 335.81 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 65368924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).