5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide

C16H19ClF3N3O3S — CID 11373660

IUPAC5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](CO)[C@@H](CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H19ClF3N3O3S/c1-10-14(15(17)23(2)21-10)27(25,26)22-13(9-24)12(8-16(18,19)20)11-6-4-3-5-7-11/h3-7,12-13,22,24H,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyVQBVQIFYUPKTQQ-QWHCGFSZSA-N
MW425.86 g/mol
LogP2.76
Rot. Bonds7

About 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide (PubChem CID 11373660) has the molecular formula C16H19ClF3N3O3S and a molecular weight of 425.86 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide
PubChem CID11373660
Molecular FormulaC16H19ClF3N3O3S
Molecular Weight425.86 g/mol
Exact Mass425.08
IUPAC Name5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](CO)[C@@H](CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H19ClF3N3O3S/c1-10-14(15(17)23(2)21-10)27(25,26)22-13(9-24)12(8-16(18,19)20)11-6-4-3-5-7-11/h3-7,12-13,22,24H,8-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyVQBVQIFYUPKTQQ-QWHCGFSZSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.86
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

{4-(4-chlorobenzyl)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methanol
CID 16187705
[1-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-phenylethyl)-4-piperidinyl]methanol
CID 16187938
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806357
5-chloro-1,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazole-4-sulfonamide
CID 3722896
5-chloro-N-[2-(3-fluorophenyl)cyclopropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 53623996
1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237
4-[4-(4-Chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355233
5-chloro-1,3-dimethyl-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide
CID 44223647
5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 67199882
2-[4-(4-Chlorophenyl)-1-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646589
(2S,3R)-1-amino-2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-5,5,5-trifluoro-3-phenylpentan-1-ol
CID 68431811
3-[1-[(Z)-4-amino-2-fluorobut-2-enyl]-5-chloro-3-methylpyrazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 135318388

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide (CID 11373660) is 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](CO)[C@@H](CC(F)(F)F)c1ccccc1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is VQBVQIFYUPKTQQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19ClF3N3O3S/c1-10-14(15(17)23(2)21-10)27(25,26)22-13(9-24)12(8-16(18,19)20)11-6-4-3-5-7-11/h3-7,12-13,22,24H,8-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 425.86 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 11373660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).