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

C14H13ClN2OS — CID 43305543

IUPAC2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccccc1CSc1ccc(N)cc1Cl
InChIInChI=1S/C14H13ClN2OS/c15-12-7-10(16)5-6-13(12)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyZDLGSTBEYGWTOV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.31
Rot. Bonds4

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

2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide (PubChem CID 43305543) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide
PubChem CID43305543
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccccc1CSc1ccc(N)cc1Cl
InChIInChI=1S/C14H13ClN2OS/c15-12-7-10(16)5-6-13(12)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyZDLGSTBEYGWTOV-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

2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzamide
CID 79141355
3-[(4-amino-2-chlorophenyl)sulfanylmethyl]-4-fluorobenzamide
CID 43305542
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 79142609
3-chloro-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]aniline
CID 43305087
4-[(4-amino-2-chlorophenyl)sulfanylmethyl]-5-methylfuran-2-carboxylic acid
CID 55054156
4-[(3-aminophenyl)methylsulfanyl]-3-chloroaniline
CID 113274190
5-amino-2-(2-chlorophenyl)sulfanylbenzamide
CID 61314066
3-chloro-4-(pyridin-2-ylmethylsulfanyl)aniline
CID 19814400
2-[(5-amino-2-methylphenyl)sulfanylmethyl]benzoic acid
CID 79140772
2-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzoic acid
CID 61319450
methyl 3-[(4-amino-2-chlorophenyl)sulfanylmethyl]furan-2-carboxylate
CID 43305184
6-[(4-amino-2-chlorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903508

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide (CID 43305543) is 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide is NC(=O)c1ccccc1CSc1ccc(N)cc1Cl.
What is the InChIKey of 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is ZDLGSTBEYGWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-7-10(16)5-6-13(12)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide?
2-[(4-amino-2-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 2-[(4-amino-2-chlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 43305543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).