2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C13H12F3N3O3S2 — CID 34001699

IUPAC2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C13H12F3N3O3S2/c14-13(15,16)9-18-11(20)8-19(12-17-6-7-23-12)24(21,22)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20)
InChIKeyPWWGMNMVQSGNDU-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.02
Rot. Bonds6

About 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 34001699) has the molecular formula C13H12F3N3O3S2 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID34001699
Molecular FormulaC13H12F3N3O3S2
Molecular Weight379.39 g/mol
Exact Mass379.03
IUPAC Name2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C13H12F3N3O3S2/c14-13(15,16)9-18-11(20)8-19(12-17-6-7-23-12)24(21,22)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20)
InChIKeyPWWGMNMVQSGNDU-UHFFFAOYSA-N
XLogP2.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2991996
2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
CID 2998088
3-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
CID 3163449
2-((4-fluorophenyl)sulfonyl)-N-(thiazol-2-yl)acetamide
CID 7254486
(2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 11936614
2-(benzenesulfonamido)-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 16305061
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 2666565
1-[(4-fluorophenyl)sulfonyl]-N-1,3-thiazol-2-ylprolinamide
CID 2947472
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 4539654
(2S)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118572
(2S)-2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
CID 7126280
3-((4-fluorophenyl)sulfonyl)-N-(thiazol-2-yl)propanamide
CID 7254362

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 34001699) is 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCC(F)(F)F.
What is the InChIKey of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PWWGMNMVQSGNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S2/c14-13(15,16)9-18-11(20)8-19(12-17-6-7-23-12)24(21,22)10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 379.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 34001699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).