4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide

C19H14BrNO2S — CID 154707235

IUPAC4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide
SMILESO=C(N=S(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrNO2S/c20-16-13-11-15(12-14-16)19(22)21-24(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
InChIKeyAYMXLMVLIDOVPJ-UHFFFAOYSA-N
MW400.30 g/mol
LogP5.18
Rot. Bonds3

About 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide

4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide (PubChem CID 154707235) has the molecular formula C19H14BrNO2S and a molecular weight of 400.30 g/mol. Its IUPAC name is 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide.

Molecular Properties

Compound Name4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide
PubChem CID154707235
Molecular FormulaC19H14BrNO2S
Molecular Weight400.30 g/mol
Exact Mass398.99
IUPAC Name4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide
SMILESO=C(N=S(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrNO2S/c20-16-13-11-15(12-14-16)19(22)21-24(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H
InChIKeyAYMXLMVLIDOVPJ-UHFFFAOYSA-N
XLogP5.18
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.30
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
CID 167050073
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
CID 6514956
N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide
CID 162396872
benzene;1-(4-bromophenyl)ethanone
CID 174710467
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
4-bromobenzoic acid;copper
CID 67824318
2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 2766967
N-[dibenzyl(oxo)-λ6-sulfanylidene]benzamide
CID 162418409
4-bromo-N-(4-bromophenyl)iminobenzamide
CID 12065809
ethyl 2-(benzenesulfonyl)-3-(4-bromophenyl)-3-oxopropanoate
CID 141375236
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide?
The IUPAC name of 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide (CID 154707235) is 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide.
What is the SMILES notation for 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide?
The canonical SMILES for 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide is O=C(N=S(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide?
The InChIKey is AYMXLMVLIDOVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO2S/c20-16-13-11-15(12-14-16)19(22)21-24(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H.
What are the key properties of 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide?
4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide has a molecular weight of 400.30 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide is sourced from PubChem (CID 154707235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).