2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

C10H15ClN2O4S2 — CID 104706006

IUPAC2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2sc(Cl)nc2C)CCOC1
InChIInChI=1S/C10H15ClN2O4S2/c1-7-8(18-9(11)13-7)19(14,15)12-5-10(16-2)3-4-17-6-10/h12H,3-6H2,1-2H3
InChIKeyNLPVVLQTGGPTPC-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.19
Rot. Bonds5

About 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 104706006) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID104706006
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2sc(Cl)nc2C)CCOC1
InChIInChI=1S/C10H15ClN2O4S2/c1-7-8(18-9(11)13-7)19(14,15)12-5-10(16-2)3-4-17-6-10/h12H,3-6H2,1-2H3
InChIKeyNLPVVLQTGGPTPC-UHFFFAOYSA-N
XLogP1.19
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 113450085
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 113443450
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104758582
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104705980
6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104762812
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104758612
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104706001
methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
5-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 104758588
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104765482
3-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 116792216
4-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104758566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 104706006) is 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide is COC1(CNS(=O)(=O)c2sc(Cl)nc2C)CCOC1.
What is the InChIKey of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is NLPVVLQTGGPTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-7-8(18-9(11)13-7)19(14,15)12-5-10(16-2)3-4-17-6-10/h12H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 326.83 g/mol, XLogP of 1.19, 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]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 104706006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).