1-benzoyl-2-(sulfinoamino)benzene

C13H11NO3S — CID 23299444

IUPAC1-benzoyl-2-(sulfinoamino)benzene
SMILESO=C(c1ccccc1)c1ccccc1NS(=O)O
InChIInChI=1S/C13H11NO3S/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14-18(16)17/h1-9,14H,(H,16,17)
InChIKeyCQYKNHVHPQMWRY-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.47
Rot. Bonds4

About 1-benzoyl-2-(sulfinoamino)benzene

1-benzoyl-2-(sulfinoamino)benzene (PubChem CID 23299444) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-benzoyl-2-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-benzoyl-2-(sulfinoamino)benzene
PubChem CID23299444
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name1-benzoyl-2-(sulfinoamino)benzene
SMILESO=C(c1ccccc1)c1ccccc1NS(=O)O
InChIInChI=1S/C13H11NO3S/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14-18(16)17/h1-9,14H,(H,16,17)
InChIKeyCQYKNHVHPQMWRY-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
diphenylmethanone
CID 3102
[2-(2-aminoanilino)phenyl]-phenylmethanone
CID 134442621
4-benzoyl-1-nitro-2-(sulfinoamino)benzene
CID 57005348
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
bis(2-benzoylphenyl)-phenylsulfanium
CID 87492678

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-(sulfinoamino)benzene?
The IUPAC name of 1-benzoyl-2-(sulfinoamino)benzene (CID 23299444) is 1-benzoyl-2-(sulfinoamino)benzene.
What is the SMILES notation for 1-benzoyl-2-(sulfinoamino)benzene?
The canonical SMILES for 1-benzoyl-2-(sulfinoamino)benzene is O=C(c1ccccc1)c1ccccc1NS(=O)O.
What is the InChIKey of 1-benzoyl-2-(sulfinoamino)benzene?
The InChIKey is CQYKNHVHPQMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14-18(16)17/h1-9,14H,(H,16,17).
What are the key properties of 1-benzoyl-2-(sulfinoamino)benzene?
1-benzoyl-2-(sulfinoamino)benzene has a molecular weight of 261.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-(sulfinoamino)benzene is sourced from PubChem (CID 23299444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).