4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide

C14H13ClN2OS — CID 79528043

IUPAC4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H13ClN2OS/c15-11-5-6-12(16)13(7-11)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyQHMNEYQBISBXDV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.31
Rot. Bonds4

About 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide

4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide (PubChem CID 79528043) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
PubChem CID79528043
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H13ClN2OS/c15-11-5-6-12(16)13(7-11)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyQHMNEYQBISBXDV-UHFFFAOYSA-N
XLogP3.31
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.31
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-[(5-chloro-2-methoxyphenyl)sulfanylmethyl]benzamide
CID 91233787
4-amino-3-benzylsulfanylbenzamide
CID 55189643
4-amino-3-[(4-chlorophenyl)methylsulfanyl]-N-ethylbenzamide
CID 114790171
4-[(2-chlorophenyl)sulfanylmethyl]benzamide
CID 27312045
2-[(4-chlorophenyl)methylsulfanyl]-4-fluoroaniline
CID 79147531
4-chloro-2-[(4-ethoxyphenyl)methylsulfanyl]aniline
CID 79528049
methyl 4-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzoate
CID 28942620
4-[(2-amino-5-chlorophenyl)sulfinylmethyl]benzamide
CID 81179968
methyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]benzoate
CID 114790821
2-[(3-bromophenyl)methylsulfanyl]-4-chloroaniline
CID 79527806
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide (CID 79528043) is 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2cc(Cl)ccc2N)cc1.
What is the InChIKey of 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is QHMNEYQBISBXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-11-5-6-12(16)13(7-11)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide?
4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide has a molecular weight of 292.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-chlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 79528043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).