N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide

C10H11ClN2O2S — CID 62666300

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
SMILESNC(=S)CCNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O2S/c11-7-5-6(1-2-8(7)14)10(15)13-4-3-9(12)16/h1-2,5,14H,3-4H2,(H2,12,16)(H,13,15)
InChIKeySREBYHCARTXATE-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.45
Rot. Bonds4

About N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide

N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide (PubChem CID 62666300) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
PubChem CID62666300
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
SMILESNC(=S)CCNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H11ClN2O2S/c11-7-5-6(1-2-8(7)14)10(15)13-4-3-9(12)16/h1-2,5,14H,3-4H2,(H2,12,16)(H,13,15)
InChIKeySREBYHCARTXATE-UHFFFAOYSA-N
XLogP1.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-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

3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
N-[(4-carbamothioylphenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 62309633
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
N-(5-amino-5-sulfanylidenepentyl)-3,4-dihydroxybenzamide
CID 107728397
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
3-chloro-4-hydroxybenzohydrazide
CID 10954268
N-(4-amino-4-sulfanylidenebutyl)-4-chloro-3-fluorobenzamide
CID 114024478
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-4-chlorobenzamide
CID 114025855
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
3-chloro-4-hydroxybenzamide
CID 22932347
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181
N-(3-amino-3-sulfanylidenepropyl)-3,5-dimethylbenzamide
CID 62667254

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide (CID 62666300) is N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide is NC(=S)CCNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide?
The InChIKey is SREBYHCARTXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-7-5-6(1-2-8(7)14)10(15)13-4-3-9(12)16/h1-2,5,14H,3-4H2,(H2,12,16)(H,13,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide?
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide has a molecular weight of 258.73 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 62666300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).