4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide

C15H15ClN2OS — CID 57327360

IUPAC4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Sc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2OS/c1-18(2)15(19)10-3-5-11(6-4-10)20-12-7-8-14(17)13(16)9-12/h3-9H,17H2,1-2H3
InChIKeyCBQLALHRACXGQA-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.78
Rot. Bonds3

About 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide

4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide (PubChem CID 57327360) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide
PubChem CID57327360
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Sc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2OS/c1-18(2)15(19)10-3-5-11(6-4-10)20-12-7-8-14(17)13(16)9-12/h3-9H,17H2,1-2H3
InChIKeyCBQLALHRACXGQA-UHFFFAOYSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide (CID 57327360) is 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Sc2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide?
The InChIKey is CBQLALHRACXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-18(2)15(19)10-3-5-11(6-4-10)20-12-7-8-14(17)13(16)9-12/h3-9H,17H2,1-2H3.
What are the key properties of 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide?
4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide has a molecular weight of 306.82 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 57327360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).