2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide

C6H8ClN3O3S2 — CID 43455967

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H8ClN3O3S2/c1-8-4(11)2-10-15(12,13)5-3-9-6(7)14-5/h3,10H,2H2,1H3,(H,8,11)
InChIKeyXJNNPKPAOWKCPD-UHFFFAOYSA-N
MW269.74 g/mol
LogP-0.18
Rot. Bonds4

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide (PubChem CID 43455967) has the molecular formula C6H8ClN3O3S2 and a molecular weight of 269.74 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
PubChem CID43455967
Molecular FormulaC6H8ClN3O3S2
Molecular Weight269.74 g/mol
Exact Mass268.97
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C6H8ClN3O3S2/c1-8-4(11)2-10-15(12,13)5-3-9-6(7)14-5/h3,10H,2H2,1H3,(H,8,11)
InChIKeyXJNNPKPAOWKCPD-UHFFFAOYSA-N
XLogP-0.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide (CID 43455967) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide?
The InChIKey is XJNNPKPAOWKCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O3S2/c1-8-4(11)2-10-15(12,13)5-3-9-6(7)14-5/h3,10H,2H2,1H3,(H,8,11).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide has a molecular weight of 269.74 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43455967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).