2,3-dichloro-N-sulfanyloxybenzamide

C7H5Cl2NO2S — CID 173416374

IUPAC2,3-dichloro-N-sulfanyloxybenzamide
SMILESO=C(NOS)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2NO2S/c8-5-3-1-2-4(6(5)9)7(11)10-12-13/h1-3,13H,(H,10,11)
InChIKeyWKCFWDMFBLCLGL-UHFFFAOYSA-N
MW238.10 g/mol
LogP2.50
Rot. Bonds2

About 2,3-dichloro-N-sulfanyloxybenzamide

2,3-dichloro-N-sulfanyloxybenzamide (PubChem CID 173416374) has the molecular formula C7H5Cl2NO2S and a molecular weight of 238.10 g/mol. Its IUPAC name is 2,3-dichloro-N-sulfanyloxybenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-sulfanyloxybenzamide
PubChem CID173416374
Molecular FormulaC7H5Cl2NO2S
Molecular Weight238.10 g/mol
Exact Mass236.94
IUPAC Name2,3-dichloro-N-sulfanyloxybenzamide
SMILESO=C(NOS)c1cccc(Cl)c1Cl
InChIInChI=1S/C7H5Cl2NO2S/c8-5-3-1-2-4(6(5)9)7(11)10-12-13/h1-3,13H,(H,10,11)
InChIKeyWKCFWDMFBLCLGL-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-sulfanylbenzamide
CID 71773851
2,3-dichloro-N-phenylbenzamide
CID 7732866
2-[(2,3-dichlorobenzoyl)amino]propanediamide
CID 25465611
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
2,3-dichlorobenzamide;hydron
CID 69226563
(2,3-dichlorobenzoyl) 2,3-dichlorobenzoate
CID 20714991
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2,3-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107844859
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-sulfanyloxybenzamide?
The IUPAC name of 2,3-dichloro-N-sulfanyloxybenzamide (CID 173416374) is 2,3-dichloro-N-sulfanyloxybenzamide.
What is the SMILES notation for 2,3-dichloro-N-sulfanyloxybenzamide?
The canonical SMILES for 2,3-dichloro-N-sulfanyloxybenzamide is O=C(NOS)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-sulfanyloxybenzamide?
The InChIKey is WKCFWDMFBLCLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO2S/c8-5-3-1-2-4(6(5)9)7(11)10-12-13/h1-3,13H,(H,10,11).
What are the key properties of 2,3-dichloro-N-sulfanyloxybenzamide?
2,3-dichloro-N-sulfanyloxybenzamide has a molecular weight of 238.10 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-sulfanyloxybenzamide is sourced from PubChem (CID 173416374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).