5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide

C15H15ClN2OS — CID 107198489

IUPAC5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide
SMILESCc1ccc(C)c(Sc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C15H15ClN2OS/c1-8-3-4-9(2)13(5-8)20-14-11(15(18)19)6-10(17)7-12(14)16/h3-7H,17H2,1-2H3,(H2,18,19)
InChIKeyBRWUJHVASVPAAQ-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.79
Rot. Bonds3

About 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide

5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide (PubChem CID 107198489) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide
PubChem CID107198489
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide
SMILESCc1ccc(C)c(Sc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C15H15ClN2OS/c1-8-3-4-9(2)13(5-8)20-14-11(15(18)19)6-10(17)7-12(14)16/h3-7H,17H2,1-2H3,(H2,18,19)
InChIKeyBRWUJHVASVPAAQ-UHFFFAOYSA-N
XLogP3.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
5-amino-3-chloro-2-(2-chlorophenyl)sulfanylbenzoic acid
CID 107198419
ethyl 5-amino-3-chloro-2-(2-chlorophenyl)sulfanylbenzoate
CID 107198413
5-amino-3-chloro-2-(3-methoxyphenyl)sulfanylbenzamide
CID 107198405
ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate
CID 107198568
5-amino-3-chloro-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 107198513
5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide
CID 107198794
5-amino-2-butylsulfanyl-3-chlorobenzamide
CID 107198550
S-(2,5-dimethylphenyl) carbamothioate
CID 117035966
5-amino-3-chloro-2-(5-methylpyrimidin-2-yl)sulfanylbenzoic acid
CID 107198631
5-amino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorobenzamide
CID 107198338
5-amino-2,3-dichlorobenzamide
CID 107183127

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide?
The IUPAC name of 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide (CID 107198489) is 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide is Cc1ccc(C)c(Sc2c(Cl)cc(N)cc2C(N)=O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide?
The InChIKey is BRWUJHVASVPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-8-3-4-9(2)13(5-8)20-14-11(15(18)19)6-10(17)7-12(14)16/h3-7H,17H2,1-2H3,(H2,18,19).
What are the key properties of 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide?
5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide has a molecular weight of 306.82 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide is sourced from PubChem (CID 107198489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).