N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide

C11H12Cl2N2OS — CID 62666216

IUPACN-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
SMILESNC(=S)CCCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2N2OS/c12-7-3-1-4-8(13)10(7)11(16)15-6-2-5-9(14)17/h1,3-4H,2,5-6H2,(H2,14,17)(H,15,16)
InChIKeyHGRQFXSBBKGHPM-UHFFFAOYSA-N
MW291.20 g/mol
LogP2.79
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide

N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide (PubChem CID 62666216) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
PubChem CID62666216
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide
SMILESNC(=S)CCCNC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2N2OS/c12-7-3-1-4-8(13)10(7)11(16)15-6-2-5-9(14)17/h1,3-4H,2,5-6H2,(H2,14,17)(H,15,16)
InChIKeyHGRQFXSBBKGHPM-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 52.79
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'}

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Related Compounds

N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
CID 81267427
2,6-dichloro-N-(3-chloropropyl)benzamide
CID 3367173
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-(4-amino-4-sulfanylidenebutyl)-4-chloro-3-fluorobenzamide
CID 114024478
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
N-(3-azidopropyl)-2,6-dichlorobenzamide
CID 61343646
N-(5-amino-5-sulfanylidenepentyl)-3-chlorothiophene-2-carboxamide
CID 80643926
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
1-(4-amino-4-sulfanylidenebutyl)-3-(3-chlorophenyl)urea
CID 62668290
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-4-chlorobenzamide
CID 114025855
8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide (CID 62666216) is N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide is NC(=S)CCCNC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide?
The InChIKey is HGRQFXSBBKGHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c12-7-3-1-4-8(13)10(7)11(16)15-6-2-5-9(14)17/h1,3-4H,2,5-6H2,(H2,14,17)(H,15,16).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide?
N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide has a molecular weight of 291.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 62666216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).