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

C8H9ClF3N3O3S2 — CID 61047616

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H9ClF3N3O3S2/c1-15(3-5(16)14-4-8(10,11)12)20(17,18)6-2-13-7(9)19-6/h2H,3-4H2,1H3,(H,14,16)
InChIKeyNBTLXYSIMDGQOM-UHFFFAOYSA-N
MW351.76 g/mol
LogP1.10
Rot. Bonds5

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

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61047616) has the molecular formula C8H9ClF3N3O3S2 and a molecular weight of 351.76 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61047616
Molecular FormulaC8H9ClF3N3O3S2
Molecular Weight351.76 g/mol
Exact Mass350.97
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H9ClF3N3O3S2/c1-15(3-5(16)14-4-8(10,11)12)20(17,18)6-2-13-7(9)19-6/h2H,3-4H2,1H3,(H,14,16)
InChIKeyNBTLXYSIMDGQOM-UHFFFAOYSA-N
XLogP1.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61046141
N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121525439
(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129433448
(2R)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129433449
2-(Acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
CID 22245084
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
1-[4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
CID 43427516
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 43455786
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
CID 43455967
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43455968

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61047616) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NBTLXYSIMDGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O3S2/c1-15(3-5(16)14-4-8(10,11)12)20(17,18)6-2-13-7(9)19-6/h2H,3-4H2,1H3,(H,14,16).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 351.76 g/mol, XLogP of 1.10, 5 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61047616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).