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

C6H9ClN2O2S2 — CID 43456053

IUPAC2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C6H9ClN2O2S2/c1-4-5(12-6(7)8-4)13(10,11)9(2)3/h1-3H3
InChIKeyWBUGCNUGVMPFMM-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.36
Rot. Bonds2

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

2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 43456053) has the molecular formula C6H9ClN2O2S2 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide
PubChem CID43456053
Molecular FormulaC6H9ClN2O2S2
Molecular Weight240.74 g/mol
Exact Mass239.98
IUPAC Name2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C6H9ClN2O2S2/c1-4-5(12-6(7)8-4)13(10,11)9(2)3/h1-3H3
InChIKeyWBUGCNUGVMPFMM-UHFFFAOYSA-N
XLogP1.36
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide (CID 43456053) is 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is WBUGCNUGVMPFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S2/c1-4-5(12-6(7)8-4)13(10,11)9(2)3/h1-3H3.
What are the key properties of 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide?
2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 240.74 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N,4-trimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).