2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide

C5H7ClN2O2S2 — CID 11424677

IUPAC2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C5H7ClN2O2S2/c1-3-4(11-5(6)8-3)12(9,10)7-2/h7H,1-2H3
InChIKeyNKSRXJHHPHYFFJ-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.01
Rot. Bonds2

About 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide

2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 11424677) has the molecular formula C5H7ClN2O2S2 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID11424677
Molecular FormulaC5H7ClN2O2S2
Molecular Weight226.71 g/mol
Exact Mass225.96
IUPAC Name2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C5H7ClN2O2S2/c1-3-4(11-5(6)8-3)12(9,10)7-2/h7H,1-2H3
InChIKeyNKSRXJHHPHYFFJ-UHFFFAOYSA-N
XLogP1.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 11424677) is 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide is CNS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is NKSRXJHHPHYFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2S2/c1-3-4(11-5(6)8-3)12(9,10)7-2/h7H,1-2H3.
What are the key properties of 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 226.71 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 11424677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).