2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide

C9H13ClN2O3S2 — CID 43533896

IUPAC2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)C1CCCO1
InChIInChI=1S/C9H13ClN2O3S2/c1-6(7-3-2-4-15-7)12-17(13,14)8-5-11-9(10)16-8/h5-7,12H,2-4H2,1H3
InChIKeyKYIAFXQQSNEAEX-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.64
Rot. Bonds4

About 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43533896) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID43533896
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)C1CCCO1
InChIInChI=1S/C9H13ClN2O3S2/c1-6(7-3-2-4-15-7)12-17(13,14)8-5-11-9(10)16-8/h5-7,12H,2-4H2,1H3
InChIKeyKYIAFXQQSNEAEX-UHFFFAOYSA-N
XLogP1.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
CID 55069221
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
5-chloro-1-methyl-N-[1-(oxolan-2-yl)ethyl]imidazole-4-sulfonamide
CID 43421879
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
3-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-2-sulfonamide
CID 103300982
4-(2-chloroethyl)-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 43612644
methyl 3-chloro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]sulfamoyl]benzoate
CID 94812176
3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 103077280
methyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-3-methylbutanoate
CID 43455982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide (CID 43533896) is 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide is CC(NS(=O)(=O)c1cnc(Cl)s1)C1CCCO1.
What is the InChIKey of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is KYIAFXQQSNEAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-6(7-3-2-4-15-7)12-17(13,14)8-5-11-9(10)16-8/h5-7,12H,2-4H2,1H3.
What are the key properties of 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 296.80 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43533896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).