2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide

C8H13ClN2O3S2 — CID 64549307

IUPAC2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-3-8(2,5-12)11-16(13,14)6-4-10-7(9)15-6/h4,11-12H,3,5H2,1-2H3
InChIKeyQPYQAWNUPKCEOF-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.24
Rot. Bonds5

About 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 64549307) has the molecular formula C8H13ClN2O3S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID64549307
Molecular FormulaC8H13ClN2O3S2
Molecular Weight284.79 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-3-8(2,5-12)11-16(13,14)6-4-10-7(9)15-6/h4,11-12H,3,5H2,1-2H3
InChIKeyQPYQAWNUPKCEOF-UHFFFAOYSA-N
XLogP1.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide (CID 64549307) is 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide is CCC(C)(CO)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is QPYQAWNUPKCEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S2/c1-3-8(2,5-12)11-16(13,14)6-4-10-7(9)15-6/h4,11-12H,3,5H2,1-2H3.
What are the key properties of 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 284.79 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 64549307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).