2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide

C12H12ClN3O3S2 — CID 61051625

IUPAC2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C12H12ClN3O3S2/c1-14-10(17)6-8-2-4-9(5-3-8)16-21(18,19)11-7-15-12(13)20-11/h2-5,7,16H,6H2,1H3,(H,14,17)
InChIKeyMHEGGVDBQBTKRA-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.89
Rot. Bonds5

About 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide

2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 61051625) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID61051625
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C12H12ClN3O3S2/c1-14-10(17)6-8-2-4-9(5-3-8)16-21(18,19)11-7-15-12(13)20-11/h2-5,7,16H,6H2,1H3,(H,14,17)
InChIKeyMHEGGVDBQBTKRA-UHFFFAOYSA-N
XLogP1.89
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide (CID 61051625) is 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1.
What is the InChIKey of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is MHEGGVDBQBTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-14-10(17)6-8-2-4-9(5-3-8)16-21(18,19)11-7-15-12(13)20-11/h2-5,7,16H,6H2,1H3,(H,14,17).
What are the key properties of 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide?
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 345.83 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 61051625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).