3-bromo-N-sulfanylidenebenzamide

C7H4BrNOS — CID 58039708

IUPAC3-bromo-N-sulfanylidenebenzamide
SMILESO=C(N=S)c1cccc(Br)c1
InChIInChI=1S/C7H4BrNOS/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4H
InChIKeyFHPRBPSPAZUPHS-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.32
Rot. Bonds1

About 3-bromo-N-sulfanylidenebenzamide

3-bromo-N-sulfanylidenebenzamide (PubChem CID 58039708) has the molecular formula C7H4BrNOS and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-bromo-N-sulfanylidenebenzamide.

Molecular Properties

Compound Name3-bromo-N-sulfanylidenebenzamide
PubChem CID58039708
Molecular FormulaC7H4BrNOS
Molecular Weight230.09 g/mol
Exact Mass228.92
IUPAC Name3-bromo-N-sulfanylidenebenzamide
SMILESO=C(N=S)c1cccc(Br)c1
InChIInChI=1S/C7H4BrNOS/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4H
InChIKeyFHPRBPSPAZUPHS-UHFFFAOYSA-N
XLogP2.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-sulfanylidenebenzamide?
The IUPAC name of 3-bromo-N-sulfanylidenebenzamide (CID 58039708) is 3-bromo-N-sulfanylidenebenzamide.
What is the SMILES notation for 3-bromo-N-sulfanylidenebenzamide?
The canonical SMILES for 3-bromo-N-sulfanylidenebenzamide is O=C(N=S)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-sulfanylidenebenzamide?
The InChIKey is FHPRBPSPAZUPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNOS/c8-6-3-1-2-5(4-6)7(10)9-11/h1-4H.
What are the key properties of 3-bromo-N-sulfanylidenebenzamide?
3-bromo-N-sulfanylidenebenzamide has a molecular weight of 230.09 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-sulfanylidenebenzamide is sourced from PubChem (CID 58039708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).