4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Basic information
- CAS
123291-07-6- Standard SMILES
CC(C)CNC1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21- InChIKey
JFLUCCKXAYBETQ-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4S3
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.04287058
Names & identifiers
- Preferred name
- 4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- IUPAC
- 4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- English name
- sezolamide
- Molecular formula
- C11H18N2O4S3
- Molecular weight
- 338.47
Names & synonyms
123291-07-64-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide(+-)-isomer of sezolamideMK 927CHEMBL545013orb1738307SCHEMBL6086814(S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amideBDBM500177254-H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-4-((2-methylpropyl)amino)-, 7,7-dioxide4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; hydrochloride
Show more names
sezolamide4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 5,6-dihydro-4-[(2-methylpropyl)amino]-, 7,7-dioxide
Database identifiers
- CAS
123291-07-6- PubChem CID
- 122147
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- FDA UNII
- 9 C0XB7D4 · FC9C0XB7D4
Related reactions
0 records
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Compound notes
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