2,3-dimethoxy-N-sulfanylbenzamide

C9H11NO3S — CID 71771535

IUPAC2,3-dimethoxy-N-sulfanylbenzamide
SMILESCOc1cccc(C(=O)NS)c1OC
InChIInChI=1S/C9H11NO3S/c1-12-7-5-3-4-6(8(7)13-2)9(11)10-14/h3-5,14H,1-2H3,(H,10,11)
InChIKeyWCPWMWNBZPBALL-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.28
Rot. Bonds3

About 2,3-dimethoxy-N-sulfanylbenzamide

2,3-dimethoxy-N-sulfanylbenzamide (PubChem CID 71771535) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2,3-dimethoxy-N-sulfanylbenzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-sulfanylbenzamide
PubChem CID71771535
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2,3-dimethoxy-N-sulfanylbenzamide
SMILESCOc1cccc(C(=O)NS)c1OC
InChIInChI=1S/C9H11NO3S/c1-12-7-5-3-4-6(8(7)13-2)9(11)10-14/h3-5,14H,1-2H3,(H,10,11)
InChIKeyWCPWMWNBZPBALL-UHFFFAOYSA-N
XLogP1.28
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254550
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254551
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2,3-dimethoxybenzamide;hydrate
CID 141005510
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
CID 86047213

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-sulfanylbenzamide?
The IUPAC name of 2,3-dimethoxy-N-sulfanylbenzamide (CID 71771535) is 2,3-dimethoxy-N-sulfanylbenzamide.
What is the SMILES notation for 2,3-dimethoxy-N-sulfanylbenzamide?
The canonical SMILES for 2,3-dimethoxy-N-sulfanylbenzamide is COc1cccc(C(=O)NS)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-sulfanylbenzamide?
The InChIKey is WCPWMWNBZPBALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-12-7-5-3-4-6(8(7)13-2)9(11)10-14/h3-5,14H,1-2H3,(H,10,11).
What are the key properties of 2,3-dimethoxy-N-sulfanylbenzamide?
2,3-dimethoxy-N-sulfanylbenzamide has a molecular weight of 213.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-sulfanylbenzamide is sourced from PubChem (CID 71771535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).