N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide

C14H12ClNO2S — CID 79217596

IUPACN-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H12ClNO2S/c1-19-13-5-3-2-4-10(13)14(18)16-12-7-6-9(17)8-11(12)15/h2-8,17H,1H3,(H,16,18)
InChIKeyCFFXBIRWOWSMKH-UHFFFAOYSA-N
MW293.78 g/mol
LogP4.02
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide

N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide (PubChem CID 79217596) has the molecular formula C14H12ClNO2S and a molecular weight of 293.78 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
PubChem CID79217596
Molecular FormulaC14H12ClNO2S
Molecular Weight293.78 g/mol
Exact Mass293.03
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H12ClNO2S/c1-19-13-5-3-2-4-10(13)14(18)16-12-7-6-9(17)8-11(12)15/h2-8,17H,1H3,(H,16,18)
InChIKeyCFFXBIRWOWSMKH-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 6483556
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 61117159
N-(2-chloro-4-hydroxyphenyl)-2-(trifluoromethoxy)benzamide
CID 139014844
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide (CID 79217596) is N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide?
The InChIKey is CFFXBIRWOWSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c1-19-13-5-3-2-4-10(13)14(18)16-12-7-6-9(17)8-11(12)15/h2-8,17H,1H3,(H,16,18).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide?
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide has a molecular weight of 293.78 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 79217596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).