2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide

C9H14ClN3O4S3 — CID 60749623

IUPAC2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H14ClN3O4S3/c1-19(14,15)13-4-2-7(3-5-13)12-20(16,17)8-6-11-9(10)18-8/h6-7,12H,2-5H2,1H3
InChIKeyKAVBLCGVGOHOGN-UHFFFAOYSA-N
MW359.88 g/mol
LogP0.50
Rot. Bonds4

About 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 60749623) has the molecular formula C9H14ClN3O4S3 and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID60749623
Molecular FormulaC9H14ClN3O4S3
Molecular Weight359.88 g/mol
Exact Mass358.98
IUPAC Name2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C9H14ClN3O4S3/c1-19(14,15)13-4-2-7(3-5-13)12-20(16,17)8-6-11-9(10)18-8/h6-7,12H,2-5H2,1H3
InChIKeyKAVBLCGVGOHOGN-UHFFFAOYSA-N
XLogP0.50
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide (CID 60749623) is 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is CS(=O)(=O)N1CCC(NS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KAVBLCGVGOHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4S3/c1-19(14,15)13-4-2-7(3-5-13)12-20(16,17)8-6-11-9(10)18-8/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 359.88 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylsulfonylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60749623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).