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

C9H15ClN2O3S2 — CID 61047237

IUPACN-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-2-3-4-12(5-6-13)17(14,15)8-7-11-9(10)16-8/h7,13H,2-6H2,1H3
InChIKeyYJVDUKGXSGDCGN-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.58
Rot. Bonds7

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

N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61047237) has the molecular formula C9H15ClN2O3S2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61047237
Molecular FormulaC9H15ClN2O3S2
Molecular Weight298.82 g/mol
Exact Mass298.02
IUPAC NameN-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H15ClN2O3S2/c1-2-3-4-12(5-6-13)17(14,15)8-7-11-9(10)16-8/h7,13H,2-6H2,1H3
InChIKeyYJVDUKGXSGDCGN-UHFFFAOYSA-N
XLogP1.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide (CID 61047237) is N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide is CCCCN(CCO)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is YJVDUKGXSGDCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O3S2/c1-2-3-4-12(5-6-13)17(14,15)8-7-11-9(10)16-8/h7,13H,2-6H2,1H3.
What are the key properties of N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 298.82 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).