2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid

C14H12ClNO2S — CID 79528016

IUPAC2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid
SMILESNc1ccc(Cl)cc1SC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H12ClNO2S/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,18)
InChIKeyISEBXNBWVQGJJW-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid

2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid (PubChem CID 79528016) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid
PubChem CID79528016
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC Name2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid
SMILESNc1ccc(Cl)cc1SC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H12ClNO2S/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,18)
InChIKeyISEBXNBWVQGJJW-UHFFFAOYSA-N
XLogP3.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(1-phenylethylsulfanyl)aniline
CID 79528407
2-(2,3-dichlorophenyl)sulfanyl-2-phenylacetic acid
CID 22685265
(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887995
(2S)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887993
3-(2-amino-4-chlorophenyl)sulfanyl-2-phenylpropanoic acid
CID 64565605
2-[(2-amino-5-chlorophenyl)sulfanylmethyl]prop-2-enoic acid
CID 79528098
3-(2-amino-5-chlorophenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629062
2-(6-chloro-3-methoxyquinoxalin-2-yl)sulfanyl-2-phenylacetic acid
CID 177056206
2-(2-oxalophenyl)sulfanyl-2-phenylacetic acid
CID 16639760
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
2-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzoic acid
CID 61319450
(2S)-2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid
CID 95242000

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid (CID 79528016) is 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid is Nc1ccc(Cl)cc1SC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid?
The InChIKey is ISEBXNBWVQGJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,16H2,(H,17,18).
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid?
2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid has a molecular weight of 293.78 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfanyl-2-phenylacetic acid is sourced from PubChem (CID 79528016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).