4-(N-phenylanilino)benzenesulfinic acid

C18H15NO2S — CID 134528275

IUPAC4-(N-phenylanilino)benzenesulfinic acid
SMILESO=S(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15NO2S/c20-22(21)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H,20,21)
InChIKeyIASVXNIGHILSDC-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.74
Rot. Bonds4

About 4-(N-phenylanilino)benzenesulfinic acid

4-(N-phenylanilino)benzenesulfinic acid (PubChem CID 134528275) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(N-phenylanilino)benzenesulfinic acid.

Molecular Properties

Compound Name4-(N-phenylanilino)benzenesulfinic acid
PubChem CID134528275
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name4-(N-phenylanilino)benzenesulfinic acid
SMILESO=S(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15NO2S/c20-22(21)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H,20,21)
InChIKeyIASVXNIGHILSDC-UHFFFAOYSA-N
XLogP4.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.74
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

CID 66692277
CID 66692277
4-(diethylamino)benzenesulfinic acid
CID 68861817
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]boronic acid
CID 142746536
N,N-diphenylaniline;silane
CID 131739129
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544

Frequently Asked Questions

What is the IUPAC name of 4-(N-phenylanilino)benzenesulfinic acid?
The IUPAC name of 4-(N-phenylanilino)benzenesulfinic acid (CID 134528275) is 4-(N-phenylanilino)benzenesulfinic acid.
What is the SMILES notation for 4-(N-phenylanilino)benzenesulfinic acid?
The canonical SMILES for 4-(N-phenylanilino)benzenesulfinic acid is O=S(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(N-phenylanilino)benzenesulfinic acid?
The InChIKey is IASVXNIGHILSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-22(21)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H,20,21).
What are the key properties of 4-(N-phenylanilino)benzenesulfinic acid?
4-(N-phenylanilino)benzenesulfinic acid has a molecular weight of 309.39 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-phenylanilino)benzenesulfinic acid is sourced from PubChem (CID 134528275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).