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

C7H11ClN2O3S2 — CID 64910951

IUPAC2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H11ClN2O3S2/c1-5(11)2-3-10-15(12,13)6-4-9-7(8)14-6/h4-5,10-11H,2-3H2,1H3
InChIKeyRLONXDFBMQWSFW-UHFFFAOYSA-N
MW270.76 g/mol
LogP0.85
Rot. Bonds5

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

2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide (PubChem CID 64910951) has the molecular formula C7H11ClN2O3S2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide
PubChem CID64910951
Molecular FormulaC7H11ClN2O3S2
Molecular Weight270.76 g/mol
Exact Mass269.99
IUPAC Name2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H11ClN2O3S2/c1-5(11)2-3-10-15(12,13)6-4-9-7(8)14-6/h4-5,10-11H,2-3H2,1H3
InChIKeyRLONXDFBMQWSFW-UHFFFAOYSA-N
XLogP0.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide (CID 64910951) is 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide is CC(O)CCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RLONXDFBMQWSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O3S2/c1-5(11)2-3-10-15(12,13)6-4-9-7(8)14-6/h4-5,10-11H,2-3H2,1H3.
What are the key properties of 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 270.76 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxybutyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 64910951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).