3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride

C12H16ClNO4S — CID 65372783

IUPAC3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
SMILESCCN(C)C(=O)c1cc(COC)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-4-14(2)12(15)10-5-9(8-18-3)6-11(7-10)19(13,16)17/h5-7H,4,8H2,1-3H3
InChIKeyLNEGEEBQPDVNHE-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.85
Rot. Bonds5

About 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride

3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride (PubChem CID 65372783) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
PubChem CID65372783
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
SMILESCCN(C)C(=O)c1cc(COC)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-4-14(2)12(15)10-5-9(8-18-3)6-11(7-10)19(13,16)17/h5-7H,4,8H2,1-3H3
InChIKeyLNEGEEBQPDVNHE-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-methyl-N-propyl-5-sulfamoylbenzamide
CID 65387565
3-(2-ethoxyethylcarbamoyl)-5-(methoxymethyl)benzenesulfonyl chloride
CID 65370563
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65396840
cyclobutyl 3-chlorosulfonyl-5-(methoxymethyl)benzoate
CID 65375108
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814471
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride
CID 79846258
5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65371444
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride (CID 65372783) is 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride is CCN(C)C(=O)c1cc(COC)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride?
The InChIKey is LNEGEEBQPDVNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-4-14(2)12(15)10-5-9(8-18-3)6-11(7-10)19(13,16)17/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride?
3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride has a molecular weight of 305.78 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 65372783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).