[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol

C23H26ClN3O3S — CID 3854256

IUPAC[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-17-21(22(24)26(2)25-17)31(29,30)27-15-13-20(14-16-27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,28H,13-16H2,1-2H3
InChIKeyPQHUMCDCSBRPHP-UHFFFAOYSA-N
MW460.00 g/mol
LogP3.72
Rot. Bonds5

About [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol (PubChem CID 3854256) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol
PubChem CID3854256
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26ClN3O3S/c1-17-21(22(24)26(2)25-17)31(29,30)27-15-13-20(14-16-27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,28H,13-16H2,1-2H3
InChIKeyPQHUMCDCSBRPHP-UHFFFAOYSA-N
XLogP3.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
3-[(3S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxy-2-methylpyridine
CID 129338982
(3R,4R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(hydroxymethyl)piperidin-3-ol
CID 56900685
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
CID 3868687
(1R,6S)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 56707031
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-hydroxypiperidine-4-carboxylic acid
CID 56875241
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(4-chlorophenyl)piperidin-4-ol
CID 2777780
4-(2-benzylpyrrolidin-1-yl)sulfonyl-5-chloro-1,3-dimethylpyrazole
CID 166186757
(3aR,7aS)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,7,7a-hexahydroisoindole
CID 56883410
N-fluoro-4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonamide
CID 175063377
(1S,2S,6R,7R)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-azatricyclo[5.2.1.02,6]decane
CID 56902731
3-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 3834046

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol (CID 3854256) is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol?
The InChIKey is PQHUMCDCSBRPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c1-17-21(22(24)26(2)25-17)31(29,30)27-15-13-20(14-16-27)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,28H,13-16H2,1-2H3.
What are the key properties of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol?
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol has a molecular weight of 460.00 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 3854256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).