2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol

C16H17Cl2NOS — CID 116695631

IUPAC2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol
SMILESNC(CO)(CCSc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NOS/c17-13-6-7-14(18)15(10-13)21-9-8-16(19,11-20)12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,19H2
InChIKeyUHURDSMEZGJWBU-UHFFFAOYSA-N
MW342.29 g/mol
LogP4.32
Rot. Bonds6

About 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol

2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol (PubChem CID 116695631) has the molecular formula C16H17Cl2NOS and a molecular weight of 342.29 g/mol. Its IUPAC name is 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol
PubChem CID116695631
Molecular FormulaC16H17Cl2NOS
Molecular Weight342.29 g/mol
Exact Mass341.04
IUPAC Name2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol
SMILESNC(CO)(CCSc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H17Cl2NOS/c17-13-6-7-14(18)15(10-13)21-9-8-16(19,11-20)12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,19H2
InChIKeyUHURDSMEZGJWBU-UHFFFAOYSA-N
XLogP4.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-5-[2-chloro-4-(3-chlorophenyl)sulfanylphenyl]-2-methylpentan-1-ol
CID 59279104
(2R)-2-amino-5-[2-chloro-4-(3-chlorophenyl)sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride
CID 68588498
2-Amino-5-[2-chloro-4-(3-chlorophenyl)sulfanylphenyl]-2-methylpentan-1-ol;hydrochloride
CID 68588499
2-Amino-5-[2-chloro-4-(3-chlorophenyl)sulfanylphenyl]-2-methylpentan-1-ol
CID 68588500
2-Amino-2-[3-[4-(3-chlorophenyl)sulfanylphenyl]propyl]propane-1,3-diol
CID 9924617
2-Amino-3-(2,5-dichlorophenyl)sulfanyl-2-phenylpropanoic acid
CID 61932705
2-Amino-3-(2-chlorophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64805335
3-(2,5-Dichlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
CID 64805736
3-(3-Chlorophenyl)sulfanyl-2-(ethylamino)-2-phenylpropan-1-ol
CID 64806091
3-(3-Chlorophenyl)sulfanyl-2-(methylamino)-2-phenylpropan-1-ol
CID 64806507
2-Amino-3-(2,5-dichlorophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64806570
2-Amino-3-(3-chlorophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64807141

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol (CID 116695631) is 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol is NC(CO)(CCSc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol?
The InChIKey is UHURDSMEZGJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NOS/c17-13-6-7-14(18)15(10-13)21-9-8-16(19,11-20)12-4-2-1-3-5-12/h1-7,10,20H,8-9,11,19H2.
What are the key properties of 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol?
2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol has a molecular weight of 342.29 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol is sourced from PubChem (CID 116695631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).