2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide

C9H13ClN2O4S2 — CID 113450085

IUPAC2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cnc(Cl)s2)CCOC1
InChIInChI=1S/C9H13ClN2O4S2/c1-15-9(2-3-16-6-9)5-12-18(13,14)7-4-11-8(10)17-7/h4,12H,2-3,5-6H2,1H3
InChIKeyPUZPWNXPDKJUBM-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.88
Rot. Bonds5

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

2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 113450085) has the molecular formula C9H13ClN2O4S2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID113450085
Molecular FormulaC9H13ClN2O4S2
Molecular Weight312.80 g/mol
Exact Mass312.00
IUPAC Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cnc(Cl)s2)CCOC1
InChIInChI=1S/C9H13ClN2O4S2/c1-15-9(2-3-16-6-9)5-12-18(13,14)7-4-11-8(10)17-7/h4,12H,2-3,5-6H2,1H3
InChIKeyPUZPWNXPDKJUBM-UHFFFAOYSA-N
XLogP0.88
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 104706006
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104758582
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104762812
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104765482
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 113443450
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104705980
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104706001
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104758612
4-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104758566
5-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 104758588
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 113450085) is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide is COC1(CNS(=O)(=O)c2cnc(Cl)s2)CCOC1.
What is the InChIKey of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is PUZPWNXPDKJUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S2/c1-15-9(2-3-16-6-9)5-12-18(13,14)7-4-11-8(10)17-7/h4,12H,2-3,5-6H2,1H3.
What are the key properties of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 312.80 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113450085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).