2-(N-sulfinoanilino)dibenzofuran

C18H13NO3S — CID 57088845

IUPAC2-(N-sulfinoanilino)dibenzofuran
SMILESO=S(O)N(c1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H13NO3S/c20-23(21)19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)22-18/h1-12H,(H,20,21)
InChIKeyOASZVFOWMCTFMB-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.86
Rot. Bonds3

About 2-(N-sulfinoanilino)dibenzofuran

2-(N-sulfinoanilino)dibenzofuran (PubChem CID 57088845) has the molecular formula C18H13NO3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(N-sulfinoanilino)dibenzofuran.

Molecular Properties

Compound Name2-(N-sulfinoanilino)dibenzofuran
PubChem CID57088845
Molecular FormulaC18H13NO3S
Molecular Weight323.37 g/mol
Exact Mass323.06
IUPAC Name2-(N-sulfinoanilino)dibenzofuran
SMILESO=S(O)N(c1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H13NO3S/c20-23(21)19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)22-18/h1-12H,(H,20,21)
InChIKeyOASZVFOWMCTFMB-UHFFFAOYSA-N
XLogP4.86
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
dibenzofuran-2-yl hydrogen sulfite
CID 174423504
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide
CID 148940294
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]dibenzofuran-2-amine
CID 164748014

Frequently Asked Questions

What is the IUPAC name of 2-(N-sulfinoanilino)dibenzofuran?
The IUPAC name of 2-(N-sulfinoanilino)dibenzofuran (CID 57088845) is 2-(N-sulfinoanilino)dibenzofuran.
What is the SMILES notation for 2-(N-sulfinoanilino)dibenzofuran?
The canonical SMILES for 2-(N-sulfinoanilino)dibenzofuran is O=S(O)N(c1ccccc1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(N-sulfinoanilino)dibenzofuran?
The InChIKey is OASZVFOWMCTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3S/c20-23(21)19(13-6-2-1-3-7-13)14-10-11-18-16(12-14)15-8-4-5-9-17(15)22-18/h1-12H,(H,20,21).
What are the key properties of 2-(N-sulfinoanilino)dibenzofuran?
2-(N-sulfinoanilino)dibenzofuran has a molecular weight of 323.37 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-sulfinoanilino)dibenzofuran is sourced from PubChem (CID 57088845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).