N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide

C14H13ClN2OS — CID 78984406

IUPACN-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C14H13ClN2OS/c1-19-11-5-2-9(3-6-11)14(18)17-10-4-7-12(15)13(16)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyLJUJCNHNMAOLQV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.90
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide

N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide (PubChem CID 78984406) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
PubChem CID78984406
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1
InChIInChI=1S/C14H13ClN2OS/c1-19-11-5-2-9(3-6-11)14(18)17-10-4-7-12(15)13(16)8-10/h2-8H,16H2,1H3,(H,17,18)
InChIKeyLJUJCNHNMAOLQV-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'}

Analyze N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503
2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 86983037
N-(5-amino-2-chlorophenyl)-4-methylsulfanylbenzamide
CID 79214714
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide (CID 78984406) is N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide?
The InChIKey is LJUJCNHNMAOLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-19-11-5-2-9(3-6-11)14(18)17-10-4-7-12(15)13(16)8-10/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide?
N-(3-amino-4-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-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 78984406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).