2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide

C6H9ClN2O2S2 — CID 43455773

IUPAC2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2O2S2/c1-4(2)9-13(10,11)5-3-8-6(7)12-5/h3-4,9H,1-2H3
InChIKeySRVJRLFJDDOLQF-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.48
Rot. Bonds3

About 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide

2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide (PubChem CID 43455773) has the molecular formula C6H9ClN2O2S2 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide
PubChem CID43455773
Molecular FormulaC6H9ClN2O2S2
Molecular Weight240.74 g/mol
Exact Mass239.98
IUPAC Name2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2O2S2/c1-4(2)9-13(10,11)5-3-8-6(7)12-5/h3-4,9H,1-2H3
InChIKeySRVJRLFJDDOLQF-UHFFFAOYSA-N
XLogP1.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide (CID 43455773) is 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide is CC(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is SRVJRLFJDDOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S2/c1-4(2)9-13(10,11)5-3-8-6(7)12-5/h3-4,9H,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide?
2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 240.74 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).