3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide

C12H16ClNO2S — CID 115665361

IUPAC3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H16ClNO2S/c1-12(2,17-3)7-14-11(16)8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyNBMBXHPVOZQNDK-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.92
Rot. Bonds4

About 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide

3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide (PubChem CID 115665361) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
PubChem CID115665361
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
SMILESCSC(C)(C)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H16ClNO2S/c1-12(2,17-3)7-14-11(16)8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeyNBMBXHPVOZQNDK-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113342883
3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide
CID 113472136
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
3-chloro-4-hydroxybenzohydrazide
CID 10954268
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)-2-oxopyridine-4-carboxamide
CID 103713487
N-(3-chloro-2,2-dimethylpropyl)-3,4-dihydroxybenzamide
CID 107729054
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
3-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 115665358
3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 113470520

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide (CID 115665361) is 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide is CSC(C)(C)CNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
The InChIKey is NBMBXHPVOZQNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-12(2,17-3)7-14-11(16)8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide?
3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide has a molecular weight of 273.78 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 115665361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).