1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol

C23H24ClNOS — CID 70688544

IUPAC1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol
SMILESOC(CSc1ccccc1Cl)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24ClNOS/c24-22-13-7-8-14-23(22)27-18-21(26)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2
InChIKeyOHJSNPDBMKSILQ-UHFFFAOYSA-N
MW397.97 g/mol
LogP5.50
Rot. Bonds9

About 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol

1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol (PubChem CID 70688544) has the molecular formula C23H24ClNOS and a molecular weight of 397.97 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol
PubChem CID70688544
Molecular FormulaC23H24ClNOS
Molecular Weight397.97 g/mol
Exact Mass397.13
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol
SMILESOC(CSc1ccccc1Cl)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24ClNOS/c24-22-13-7-8-14-23(22)27-18-21(26)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2
InChIKeyOHJSNPDBMKSILQ-UHFFFAOYSA-N
XLogP5.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.97
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol (CID 70688544) is 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol is OC(CSc1ccccc1Cl)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol?
The InChIKey is OHJSNPDBMKSILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNOS/c24-22-13-7-8-14-23(22)27-18-21(26)17-25(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21,26H,15-18H2.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol has a molecular weight of 397.97 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(dibenzylamino)propan-2-ol is sourced from PubChem (CID 70688544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).