2,3-dichloro-N-sulfanylbenzamide

C7H5Cl2NOS — CID 71773851

IUPAC2,3-dichloro-N-sulfanylbenzamide
SMILESO=C(NS)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2NOS/c8-5-3-1-2-4(6(5)9)7(11)10-12/h1-3,12H,(H,10,11)
InChIKeyINEMOCSNASRCEY-UHFFFAOYSA-N
MW222.10 g/mol
LogP2.57
Rot. Bonds1

About 2,3-dichloro-N-sulfanylbenzamide

2,3-dichloro-N-sulfanylbenzamide (PubChem CID 71773851) has the molecular formula C7H5Cl2NOS and a molecular weight of 222.10 g/mol. Its IUPAC name is 2,3-dichloro-N-sulfanylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-sulfanylbenzamide
PubChem CID71773851
Molecular FormulaC7H5Cl2NOS
Molecular Weight222.10 g/mol
Exact Mass220.95
IUPAC Name2,3-dichloro-N-sulfanylbenzamide
SMILESO=C(NS)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2NOS/c8-5-3-1-2-4(6(5)9)7(11)10-12/h1-3,12H,(H,10,11)
InChIKeyINEMOCSNASRCEY-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-sulfanyloxybenzamide
CID 173416374
2,3-dichloro-N-phenylbenzamide
CID 7732866
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
2-[(2,3-dichlorobenzoyl)amino]propanediamide
CID 25465611
2,3-dichloro-N'-(2-methylpropanoyl)benzohydrazide
CID 26890563
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
2,3-dichlorobenzamide;hydron
CID 69226563
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-sulfanylbenzamide?
The IUPAC name of 2,3-dichloro-N-sulfanylbenzamide (CID 71773851) is 2,3-dichloro-N-sulfanylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-sulfanylbenzamide?
The canonical SMILES for 2,3-dichloro-N-sulfanylbenzamide is O=C(NS)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-sulfanylbenzamide?
The InChIKey is INEMOCSNASRCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NOS/c8-5-3-1-2-4(6(5)9)7(11)10-12/h1-3,12H,(H,10,11).
What are the key properties of 2,3-dichloro-N-sulfanylbenzamide?
2,3-dichloro-N-sulfanylbenzamide has a molecular weight of 222.10 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-sulfanylbenzamide is sourced from PubChem (CID 71773851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).