N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide

C12H14ClFN2OS — CID 81267427

IUPACN-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
SMILESNC(=S)CCCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2OS/c13-9-5-3-4-8(11(9)14)12(17)16-7-2-1-6-10(15)18/h3-5H,1-2,6-7H2,(H2,15,18)(H,16,17)
InChIKeyQLHPMJRGWPDQMM-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.67
Rot. Bonds6

About N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide

N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide (PubChem CID 81267427) has the molecular formula C12H14ClFN2OS and a molecular weight of 288.77 g/mol. Its IUPAC name is N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
PubChem CID81267427
Molecular FormulaC12H14ClFN2OS
Molecular Weight288.77 g/mol
Exact Mass288.05
IUPAC NameN-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
SMILESNC(=S)CCCCNC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H14ClFN2OS/c13-9-5-3-4-8(11(9)14)12(17)16-7-2-1-6-10(15)18/h3-5H,1-2,6-7H2,(H2,15,18)(H,16,17)
InChIKeyQLHPMJRGWPDQMM-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide 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-(5-amino-5-sulfanylidenepentyl)-3-bromo-2-fluorobenzamide
CID 107951242
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
3-chloro-2-fluoro-N-nonylbenzamide
CID 91722725
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769
N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
CID 62666216
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 81265606
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
5-[(2-chloro-3-fluorobenzoyl)amino]pentanoic acid
CID 81362822
N-(4-amino-4-sulfanylidenebutyl)-4-chloro-3-fluorobenzamide
CID 114024478

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide (CID 81267427) is N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide is NC(=S)CCCCNC(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide?
The InChIKey is QLHPMJRGWPDQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2OS/c13-9-5-3-4-8(11(9)14)12(17)16-7-2-1-6-10(15)18/h3-5H,1-2,6-7H2,(H2,15,18)(H,16,17).
What are the key properties of N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide?
N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide has a molecular weight of 288.77 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 81267427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).