2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide

C6H9ClN2O3S2 — CID 106383148

IUPAC2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCCl)cs1
InChIInChI=1S/C6H9ClN2O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,1-3H2,(H,9,10)
InChIKeyGVQKUAVQKYJXPZ-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.09
Rot. Bonds5

About 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide

2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (PubChem CID 106383148) has the molecular formula C6H9ClN2O3S2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
PubChem CID106383148
Molecular FormulaC6H9ClN2O3S2
Molecular Weight256.74 g/mol
Exact Mass255.97
IUPAC Name2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCCl)cs1
InChIInChI=1S/C6H9ClN2O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,1-3H2,(H,9,10)
InChIKeyGVQKUAVQKYJXPZ-UHFFFAOYSA-N
XLogP0.09
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 106382408
2-(3-aminophenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 106379250
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
CID 106380607
2-chloro-N-(1H-pyrazol-5-ylmethyl)ethanesulfonamide
CID 107651745
3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106379297
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103
5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106382394
3-(aminomethyl)-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383910
4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381142
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106383980
4-[(cyclopropylamino)methyl]-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106383916
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide (CID 106383148) is 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide is O=c1[nH]c(CNS(=O)(=O)CCCl)cs1.
What is the InChIKey of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is GVQKUAVQKYJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O3S2/c7-1-2-14(11,12)8-3-5-4-13-6(10)9-5/h4,8H,1-3H2,(H,9,10).
What are the key properties of 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide?
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 256.74 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 106383148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).