N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide

C9H9ClN2O2S — CID 106501035

IUPACN-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide
SMILESNC(=S)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C9H9ClN2O2S/c10-7-2-1-5(13)3-6(7)9(14)12-4-8(11)15/h1-3,13H,4H2,(H2,11,15)(H,12,14)
InChIKeyIWIQAZBCLBMJPK-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.06
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide

N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide (PubChem CID 106501035) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide
PubChem CID106501035
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide
SMILESNC(=S)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C9H9ClN2O2S/c10-7-2-1-5(13)3-6(7)9(14)12-4-8(11)15/h1-3,13H,4H2,(H2,11,15)(H,12,14)
InChIKeyIWIQAZBCLBMJPK-UHFFFAOYSA-N
XLogP1.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide 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

N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
2-chloro-5-hydroxybenzamide
CID 57422942
N-(2-amino-2-sulfanylideneethyl)-3,5-dihydroxybenzamide
CID 107703205
2-chloro-5-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 106502576
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
N-(4-aminopentyl)-2-chloro-5-hydroxybenzamide
CID 114146404
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
2-chloro-N-(2-ethylsulfonylethyl)-5-hydroxybenzamide
CID 106741452
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide (CID 106501035) is N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide is NC(=S)CNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is IWIQAZBCLBMJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c10-7-2-1-5(13)3-6(7)9(14)12-4-8(11)15/h1-3,13H,4H2,(H2,11,15)(H,12,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide?
N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 244.70 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106501035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).