2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol

C23H23ClFNO2S — CID 24852275

IUPAC2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(-c2ccc(Sc3ccc(Cl)cc3)cc2F)cc1
InChIInChI=1S/C23H23ClFNO2S/c24-18-5-7-19(8-6-18)29-20-9-10-21(22(25)13-20)17-3-1-16(2-4-17)11-12-23(26,14-27)15-28/h1-10,13,27-28H,11-12,14-15,26H2
InChIKeyROTMQVKHHRIZRI-UHFFFAOYSA-N
MW431.96 g/mol
LogP4.91
Rot. Bonds8

About 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol

2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol (PubChem CID 24852275) has the molecular formula C23H23ClFNO2S and a molecular weight of 431.96 g/mol. Its IUPAC name is 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol
PubChem CID24852275
Molecular FormulaC23H23ClFNO2S
Molecular Weight431.96 g/mol
Exact Mass431.11
IUPAC Name2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(-c2ccc(Sc3ccc(Cl)cc3)cc2F)cc1
InChIInChI=1S/C23H23ClFNO2S/c24-18-5-7-19(8-6-18)29-20-9-10-21(22(25)13-20)17-3-1-16(2-4-17)11-12-23(26,14-27)15-28/h1-10,13,27-28H,11-12,14-15,26H2
InChIKeyROTMQVKHHRIZRI-UHFFFAOYSA-N
XLogP4.91
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol 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

2-Amino-4-(2''-fluoro-4''-phenylthiobiphenyl-4-yl)-2-(phosphoryloxymethyl)butanol
CID 46206105
2-Amino-4-[2''-fluoro-4''-(4-methylphenylthio)biphenyl-4-yl]-2-(phosphoryloxymethyl)butanol
CID 46206106
2-Amino-4-[3-chloro-2''-fluoro-4''-(4-methylphenylthio)biphenyl-4-yl]-2-(phosphoryloxymethyl)butanol
CID 46206435
2-Amino-4-[4-(4-benzylsulfanylphenyl)-2-chlorophenyl]-2-[[dihydroxy(methylidene)-lambda5-phosphanyl]oxymethyl]butan-1-ol
CID 46886020
2-Amino-2-(2-(2'-fluoro-4'-(4-methylphenylthio)biphenyl-4-yl)ethyl)propane-1,3-diol
CID 17751371
2-Amino-2-[2-[4-[2-fluoro-4-(3-methylphenyl)sulfanylphenyl]phenyl]ethyl]propane-1,3-diol
CID 24852155
2-Amino-2-{2-[4'-(4-ethylphenylthio)-2'-fluoro-biphenyl-4-yl]ethyl}propane-1,3-diol
CID 24852271
2-Amino-2-{2-[2'-fluoro-4'-(3-fluorophenylthio)biphenyl-4-yl]ethyl}propane-1,3-diol
CID 24852272
2-Amino-2-{2-[2'-fluoro-4'-(4-fluorophenylthio)biphenyl-4-yl]ethyl}propane-1,3-diol
CID 24852274
2-Amino-2-{2-[2'-fluoro-4'-(4-trifluoromethylphenylthio)biphenyl-4-yl]ethyl}propane-1,3-diol
CID 24852380
2-Amino-2-[2-[4-(2-fluoro-4-phenylsulfanylphenyl)phenyl]ethyl]propane-1,3-diol
CID 46202232
2-Amino-2-{2-[3-chloro-2'-fluoro-4'-(4-methylphenylthio)biphenyl-4-yl]ethyl}propane-1,3-diol
CID 46202559

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol (CID 24852275) is 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol is NC(CO)(CO)CCc1ccc(-c2ccc(Sc3ccc(Cl)cc3)cc2F)cc1.
What is the InChIKey of 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol?
The InChIKey is ROTMQVKHHRIZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO2S/c24-18-5-7-19(8-6-18)29-20-9-10-21(22(25)13-20)17-3-1-16(2-4-17)11-12-23(26,14-27)15-28/h1-10,13,27-28H,11-12,14-15,26H2.
What are the key properties of 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol?
2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol has a molecular weight of 431.96 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-[4-(4-chlorophenyl)sulfanyl-2-fluorophenyl]phenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 24852275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).