[2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol

C19H23ClO5S2 — CID 59750724

IUPAC[2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol
SMILESCS(=O)(=O)CCCCC(c1ccccc1CO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClO5S2/c1-26(22,23)13-5-4-8-19(18-7-3-2-6-15(18)14-21)27(24,25)17-11-9-16(20)10-12-17/h2-3,6-7,9-12,19,21H,4-5,8,13-14H2,1H3
InChIKeyFDYPJTOMIHIDLQ-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.56
Rot. Bonds9

About [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol

[2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol (PubChem CID 59750724) has the molecular formula C19H23ClO5S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol
PubChem CID59750724
Molecular FormulaC19H23ClO5S2
Molecular Weight430.98 g/mol
Exact Mass430.07
IUPAC Name[2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol
SMILESCS(=O)(=O)CCCCC(c1ccccc1CO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H23ClO5S2/c1-26(22,23)13-5-4-8-19(18-7-3-2-6-15(18)14-21)27(24,25)17-11-9-16(20)10-12-17/h2-3,6-7,9-12,19,21H,4-5,8,13-14H2,1H3
InChIKeyFDYPJTOMIHIDLQ-UHFFFAOYSA-N
XLogP3.56
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-(5-methylsulfonyl-1-phenylpentyl)sulfonylbenzene
CID 23028576
2-chloro-3-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]pyridine
CID 59750907
2-[1-(4-chlorophenyl)sulfonyl-6-methylsulfonylhexyl]-1,4-difluorobenzene
CID 59750834
1-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]-3-methoxybenzene
CID 59750762
1,4-difluoro-2-[1-(4-methylphenyl)sulfonyl-5-methylsulfonylpentyl]benzene
CID 59750767
2-[1-(4-chlorophenyl)sulfonyl-3-(2-methylphenyl)propyl]-1,4-difluorobenzene
CID 23028766
1,4-difluoro-2-[1-(3-methylphenyl)sulfonyl-5-methylsulfonylpentyl]benzene
CID 59750863
2-[(2-chlorophenyl)methyl]-5-methylsulfonylpentan-1-ol
CID 66058467
(2R)-2-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenyl)ethanamine
CID 9167310
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 63192126
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
4-chloro-N-[4-methylsulfonyl-1-(naphthalen-1-ylmethylamino)-1-oxobutan-2-yl]benzamide
CID 112817006

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol?
The IUPAC name of [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol (CID 59750724) is [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol.
What is the SMILES notation for [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol?
The canonical SMILES for [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol is CS(=O)(=O)CCCCC(c1ccccc1CO)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol?
The InChIKey is FDYPJTOMIHIDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO5S2/c1-26(22,23)13-5-4-8-19(18-7-3-2-6-15(18)14-21)27(24,25)17-11-9-16(20)10-12-17/h2-3,6-7,9-12,19,21H,4-5,8,13-14H2,1H3.
What are the key properties of [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol?
[2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol has a molecular weight of 430.98 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)sulfonyl-5-methylsulfonylpentyl]phenyl]methanol is sourced from PubChem (CID 59750724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).