N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide

C14H13ClN2OS — CID 79214714

IUPACN-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(N)ccc2Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c1-19-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyZZTNEQGNQJXYLW-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.90
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide

N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide (PubChem CID 79214714) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
PubChem CID79214714
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(N)ccc2Cl)cc1
InChIInChI=1S/C14H13ClN2OS/c1-19-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyZZTNEQGNQJXYLW-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.90
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

4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(3-chloro-2-methylphenyl)-4-methylsulfanylbenzamide
CID 8574861
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
CID 43548813
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide (CID 79214714) is N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cc(N)ccc2Cl)cc1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide?
The InChIKey is ZZTNEQGNQJXYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-19-11-5-2-9(3-6-11)14(18)17-13-8-10(16)4-7-12(13)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide?
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide has a molecular weight of 292.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 79214714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).