5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride

C12H14ClNO5S — CID 65371444

IUPAC5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
SMILESCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc2c1OCCO2
InChIInChI=1S/C12H14ClNO5S/c1-3-14(2)12(15)9-6-8(20(13,16)17)7-10-11(9)19-5-4-18-10/h6-7H,3-5H2,1-2H3
InChIKeySZPSWOZVNDCXBW-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.48
Rot. Bonds3

About 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride

5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride (PubChem CID 65371444) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride.

Molecular Properties

Compound Name5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
PubChem CID65371444
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC Name5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
SMILESCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc2c1OCCO2
InChIInChI=1S/C12H14ClNO5S/c1-3-14(2)12(15)9-6-8(20(13,16)17)7-10-11(9)19-5-4-18-10/h6-7H,3-5H2,1-2H3
InChIKeySZPSWOZVNDCXBW-UHFFFAOYSA-N
XLogP1.48
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(butan-2-ylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65368757
5-(tert-butylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65372942
5-(2,2-difluoroethylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 115408839
N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 65373686
7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 65375407
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
3,4-difluoro-5-[methyl(2-methylbutan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 65398604
4-chloro-3-fluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81454555
3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371289
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
CID 65372783
3,4-dichloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372826

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride?
The IUPAC name of 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride (CID 65371444) is 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride.
What is the SMILES notation for 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride?
The canonical SMILES for 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride is CCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc2c1OCCO2.
What is the InChIKey of 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride?
The InChIKey is SZPSWOZVNDCXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c1-3-14(2)12(15)9-6-8(20(13,16)17)7-10-11(9)19-5-4-18-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride?
5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride has a molecular weight of 319.77 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride is sourced from PubChem (CID 65371444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).