2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C8H13ClN2O3S2 — CID 61052832

IUPAC2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C8H13ClN2O3S2/c1-5-6(15-7(9)10-5)16(13,14)11-8(2,3)4-12/h11-12H,4H2,1-3H3
InChIKeyJZZSVJHFQABKRY-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.15
Rot. Bonds4

About 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61052832) has the molecular formula C8H13ClN2O3S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61052832
Molecular FormulaC8H13ClN2O3S2
Molecular Weight284.79 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C8H13ClN2O3S2/c1-5-6(15-7(9)10-5)16(13,14)11-8(2,3)4-12/h11-12H,4H2,1-3H3
InChIKeyJZZSVJHFQABKRY-UHFFFAOYSA-N
XLogP1.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.15
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-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 61052832) is 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(C)(C)CO.
What is the InChIKey of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is JZZSVJHFQABKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S2/c1-5-6(15-7(9)10-5)16(13,14)11-8(2,3)4-12/h11-12H,4H2,1-3H3.
What are the key properties of 2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 284.79 g/mol, XLogP of 1.15, 4 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-methylpropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61052832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).