2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide

C15H14ClNO2S — CID 78783827

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C15H14ClNO2S/c1-10(20-14-7-5-11(16)6-8-14)15(19)17-12-3-2-4-13(18)9-12/h2-10,18H,1H3,(H,17,19)
InChIKeyNSYNWSDWHROZNO-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.16
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide

2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide (PubChem CID 78783827) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
PubChem CID78783827
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C15H14ClNO2S/c1-10(20-14-7-5-11(16)6-8-14)15(19)17-12-3-2-4-13(18)9-12/h2-10,18H,1H3,(H,17,19)
InChIKeyNSYNWSDWHROZNO-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60638329
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
4-tert-butyl-N-[3-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]benzamide
CID 46778372
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
(2R)-2-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
CID 1208584
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
3-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096466
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide (CID 78783827) is 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide?
The InChIKey is NSYNWSDWHROZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-10(20-14-7-5-11(16)6-8-14)15(19)17-12-3-2-4-13(18)9-12/h2-10,18H,1H3,(H,17,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide?
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide has a molecular weight of 307.80 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 78783827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).