2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide

C9H9Cl2NO2S — CID 134419068

IUPAC2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide
SMILESCOc1cc(Cl)c(C(=O)NSC)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2S/c1-14-5-3-6(10)8(7(11)4-5)9(13)12-15-2/h3-4H,1-2H3,(H,12,13)
InChIKeyOFBMSKSBDOIXGD-UHFFFAOYSA-N
MW266.15 g/mol
LogP3.01
Rot. Bonds3

About 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide

2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide (PubChem CID 134419068) has the molecular formula C9H9Cl2NO2S and a molecular weight of 266.15 g/mol. Its IUPAC name is 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide
PubChem CID134419068
Molecular FormulaC9H9Cl2NO2S
Molecular Weight266.15 g/mol
Exact Mass264.97
IUPAC Name2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide
SMILESCOc1cc(Cl)c(C(=O)NSC)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO2S/c1-14-5-3-6(10)8(7(11)4-5)9(13)12-15-2/h3-4H,1-2H3,(H,12,13)
InChIKeyOFBMSKSBDOIXGD-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-methoxy-6-(trifluoromethyl)benzoyl chloride
CID 171002954
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2-chloro-6-iodo-4-methoxybenzamide
CID 171003230
2-chloro-1-(2-chloro-6-iodo-4-methoxyphenyl)ethanone
CID 171003358
(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone
CID 90303693
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850
ethyl 2-chloro-6-cyano-4-methoxybenzoate
CID 134650999
2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide
CID 18417047
ethyl 2,3-dichloro-5-methoxybenzoate
CID 171006431
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
(E)-3-(2,6-dichloro-4-methoxyphenyl)prop-2-enoic acid
CID 99769967
methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide?
The IUPAC name of 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide (CID 134419068) is 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide.
What is the SMILES notation for 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide?
The canonical SMILES for 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide is COc1cc(Cl)c(C(=O)NSC)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide?
The InChIKey is OFBMSKSBDOIXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2S/c1-14-5-3-6(10)8(7(11)4-5)9(13)12-15-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide?
2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide has a molecular weight of 266.15 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methoxy-N-methylsulfanylbenzamide is sourced from PubChem (CID 134419068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).