1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide

C6H9ClN2O2S2 — CID 63823637

IUPAC1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCCc1cscn1
InChIInChI=1S/C6H9ClN2O2S2/c7-4-13(10,11)9-2-1-6-3-12-5-8-6/h3,5,9H,1-2,4H2
InChIKeyATQROXRYQWDRAF-UHFFFAOYSA-N
MW240.74 g/mol
LogP0.80
Rot. Bonds5

About 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide

1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide (PubChem CID 63823637) has the molecular formula C6H9ClN2O2S2 and a molecular weight of 240.74 g/mol. Its IUPAC name is 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
PubChem CID63823637
Molecular FormulaC6H9ClN2O2S2
Molecular Weight240.74 g/mol
Exact Mass239.98
IUPAC Name1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CCl)NCCc1cscn1
InChIInChI=1S/C6H9ClN2O2S2/c7-4-13(10,11)9-2-1-6-3-12-5-8-6/h3,5,9H,1-2,4H2
InChIKeyATQROXRYQWDRAF-UHFFFAOYSA-N
XLogP0.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate
CID 63830812
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 63826102
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
CID 63823602
6-amino-5-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 64600162
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 63826100
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide (CID 63823637) is 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide is O=S(=O)(CCl)NCCc1cscn1.
What is the InChIKey of 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is ATQROXRYQWDRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2S2/c7-4-13(10,11)9-2-1-6-3-12-5-8-6/h3,5,9H,1-2,4H2.
What are the key properties of 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide?
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 240.74 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 63823637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).