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

C7H10ClN3O3S2 — CID 43455976

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H10ClN3O3S2/c1-9-5(12)4-11(2)16(13,14)6-3-10-7(8)15-6/h3H,4H2,1-2H3,(H,9,12)
InChIKeyXJRBRIOZDUJQMY-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.16
Rot. Bonds4

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

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 43455976) has the molecular formula C7H10ClN3O3S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID43455976
Molecular FormulaC7H10ClN3O3S2
Molecular Weight283.76 g/mol
Exact Mass282.99
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H10ClN3O3S2/c1-9-5(12)4-11(2)16(13,14)6-3-10-7(8)15-6/h3H,4H2,1-2H3,(H,9,12)
InChIKeyXJRBRIOZDUJQMY-UHFFFAOYSA-N
XLogP0.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide (CID 43455976) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is XJRBRIOZDUJQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3S2/c1-9-5(12)4-11(2)16(13,14)6-3-10-7(8)15-6/h3H,4H2,1-2H3,(H,9,12).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 283.76 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 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)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43455976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).