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

C8H13ClN2O2S2 — CID 43455780

IUPAC2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-3-6(4-2)11-15(12,13)7-5-10-8(9)14-7/h5-6,11H,3-4H2,1-2H3
InChIKeyZNUDOTCXAVUADA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.26
Rot. Bonds5

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

2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide (PubChem CID 43455780) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
PubChem CID43455780
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-3-6(4-2)11-15(12,13)7-5-10-8(9)14-7/h5-6,11H,3-4H2,1-2H3
InChIKeyZNUDOTCXAVUADA-UHFFFAOYSA-N
XLogP2.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide (CID 43455780) is 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide is CCC(CC)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZNUDOTCXAVUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-3-6(4-2)11-15(12,13)7-5-10-8(9)14-7/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide?
2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide has a molecular weight of 268.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pentan-3-yl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).