5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride

C12H16ClNO4S — CID 65370990

IUPAC5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCOCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-9-4-5-10(8-11(9)19(13,16)17)12(15)14(2)6-7-18-3/h4-5,8H,6-7H2,1-3H3
InChIKeyUGRDCUSFNBYWIY-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.64
Rot. Bonds5

About 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride

5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride (PubChem CID 65370990) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
PubChem CID65370990
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCOCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-9-4-5-10(8-11(9)19(13,16)17)12(15)14(2)6-7-18-3/h4-5,8H,6-7H2,1-3H3
InChIKeyUGRDCUSFNBYWIY-UHFFFAOYSA-N
XLogP1.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
2-methyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371307
N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 80718372
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65396460
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
3-fluoro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65397034
(E)-3-[5-[2-methoxyethyl(methyl)carbamoyl]-2-methylphenyl]prop-2-enoic acid
CID 81487848
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N,4-dimethylbenzamide
CID 81476949
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride (CID 65370990) is 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride is COCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The InChIKey is UGRDCUSFNBYWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-9-4-5-10(8-11(9)19(13,16)17)12(15)14(2)6-7-18-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride has a molecular weight of 305.78 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65370990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).