[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol

C18H20Cl2N2O3S — CID 71068252

IUPAC[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(Nc2ccc(Cl)cc2CO)CC1
InChIInChI=1S/C18H20Cl2N2O3S/c19-14-2-1-3-17(11-14)26(24,25)22-8-6-16(7-9-22)21-18-5-4-15(20)10-13(18)12-23/h1-5,10-11,16,21,23H,6-9,12H2
InChIKeyRDSCOQQDNJNYGA-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.75
Rot. Bonds5

About [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol

[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol (PubChem CID 71068252) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
PubChem CID71068252
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(Nc2ccc(Cl)cc2CO)CC1
InChIInChI=1S/C18H20Cl2N2O3S/c19-14-2-1-3-17(11-14)26(24,25)22-8-6-16(7-9-22)21-18-5-4-15(20)10-13(18)12-23/h1-5,10-11,16,21,23H,6-9,12H2
InChIKeyRDSCOQQDNJNYGA-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)sulfonyl-N-cyclopropylpiperazine-1-carbothioamide
CID 8745836
[5-bromo-2-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)amino]phenyl]methanol
CID 70947292
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764
3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086589
2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide
CID 24960427
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 26204806
N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 118695311
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol?
The IUPAC name of [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol (CID 71068252) is [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol.
What is the SMILES notation for [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol?
The canonical SMILES for [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol is O=S(=O)(c1cccc(Cl)c1)N1CCC(Nc2ccc(Cl)cc2CO)CC1.
What is the InChIKey of [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol?
The InChIKey is RDSCOQQDNJNYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c19-14-2-1-3-17(11-14)26(24,25)22-8-6-16(7-9-22)21-18-5-4-15(20)10-13(18)12-23/h1-5,10-11,16,21,23H,6-9,12H2.
What are the key properties of [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol?
[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol has a molecular weight of 415.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol is sourced from PubChem (CID 71068252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).