N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C13H10ClF3N2O4S2 — CID 22621233

IUPACN-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1Cl)C(F)(F)F
InChIInChI=1S/C13H10ClF3N2O4S2/c1-12(21,13(15,16)17)10(20)19-9-3-2-7(6-8(9)14)25(22,23)11-18-4-5-24-11/h2-6,21H,1H3,(H,19,20)
InChIKeyVLPYGMNHAWOKHB-UHFFFAOYSA-N
MW414.81 g/mol
LogP2.88
Rot. Bonds4

About N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 22621233) has the molecular formula C13H10ClF3N2O4S2 and a molecular weight of 414.81 g/mol. Its IUPAC name is N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID22621233
Molecular FormulaC13H10ClF3N2O4S2
Molecular Weight414.81 g/mol
Exact Mass413.97
IUPAC NameN-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1Cl)C(F)(F)F
InChIInChI=1S/C13H10ClF3N2O4S2/c1-12(21,13(15,16)17)10(20)19-9-3-2-7(6-8(9)14)25(22,23)11-18-4-5-24-11/h2-6,21H,1H3,(H,19,20)
InChIKeyVLPYGMNHAWOKHB-UHFFFAOYSA-N
XLogP2.88
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide
CID 10547789
N-[2-chloro-4-(1H-imidazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621279
N-[2-chloro-4-(4-methylphenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621269
N-[4-(1,3-benzothiazol-2-ylsulfonyl)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287463
(2R)-N-[4-(1,3-benzothiazol-2-ylsulfonyl)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 23399162
(2R)-N-[2-chloro-4-(2-oxobenzimidazol-5-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18343690
N-[2-chloro-4-[4-[(R)-methylsulfinyl]phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 91432113
N-[2-chloro-4-[2-(methanesulfonamido)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287296
N-[2-chloro-4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287474
(2R)-N-[2-chloro-4-[4-(diaminomethylideneamino)sulfonylphenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 142647927
N-(2-chloro-4-propylsulfonylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287187
N-[2-chloro-4-[4-(1,3-dihydroxypropan-2-ylamino)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287435

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 22621233) is N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is VLPYGMNHAWOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O4S2/c1-12(21,13(15,16)17)10(20)19-9-3-2-7(6-8(9)14)25(22,23)11-18-4-5-24-11/h2-6,21H,1H3,(H,19,20).
What are the key properties of N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 414.81 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22621233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).