N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide

C14H11Cl2NOS — CID 848431

IUPACN-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c1-19-13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18)
InChIKeyNMYYOGATLHSZCB-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.97
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide

N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide (PubChem CID 848431) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
PubChem CID848431
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC NameN-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NOS/c1-19-13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18)
InChIKeyNMYYOGATLHSZCB-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604341
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
methyl 2-[(2,5-dichlorophenyl)carbamoyl]benzoate
CID 108785394
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
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
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 41154126
N-[4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylbenzamide
CID 112820697
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide (CID 848431) is N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide?
The InChIKey is NMYYOGATLHSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c1-19-13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide?
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide has a molecular weight of 312.22 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 848431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).