2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide

C8H13ClN2O3S2 — CID 61045033

IUPAC2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-2-3-11(4-5-12)16(13,14)7-6-10-8(9)15-7/h6,12H,2-5H2,1H3
InChIKeyQUGLZIVFPVNQAO-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.19
Rot. Bonds6

About 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide (PubChem CID 61045033) has the molecular formula C8H13ClN2O3S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide
PubChem CID61045033
Molecular FormulaC8H13ClN2O3S2
Molecular Weight284.79 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-2-3-11(4-5-12)16(13,14)7-6-10-8(9)15-7/h6,12H,2-5H2,1H3
InChIKeyQUGLZIVFPVNQAO-UHFFFAOYSA-N
XLogP1.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide (CID 61045033) is 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide is CCCN(CCO)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide?
The InChIKey is QUGLZIVFPVNQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S2/c1-2-3-11(4-5-12)16(13,14)7-6-10-8(9)15-7/h6,12H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide has a molecular weight of 284.79 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).