bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine

C34H32N6O4S2 — CID 139197145

IUPACbis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C12H12N2O2S.C10H8N2/c2*13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-8H,13-14H2;1-8H
InChIKeyQIGDYKQIVOHWJC-UHFFFAOYSA-N
MW652.80 g/mol
LogP5.51
Rot. Bonds5

About bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine

bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine (PubChem CID 139197145) has the molecular formula C34H32N6O4S2 and a molecular weight of 652.80 g/mol. Its IUPAC name is bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine.

Molecular Properties

Compound Namebis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine
PubChem CID139197145
Molecular FormulaC34H32N6O4S2
Molecular Weight652.80 g/mol
Exact Mass652.19
IUPAC Namebis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine
SMILESNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.c1cc(-c2ccncc2)ccn1
InChIInChI=1S/2C12H12N2O2S.C10H8N2/c2*13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-8H,13-14H2;1-8H
InChIKeyQIGDYKQIVOHWJC-UHFFFAOYSA-N
XLogP5.51
TPSA198.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 55.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonyl)-N-(pyridin-3-ylmethylsulfamoyl)aniline
CID 71734843
4-(4-Methyl-3-pyridin-3-ylphenyl)sulfonylaniline
CID 172442330
4-(4-Aminophenyl)sulfonylaniline; 2-ethylpyridine-4-carbothioamide
CID 3000619
US10899738, Cpd. No 343
CID 132104776
US11452717, Example 536
CID 135222548
US11452717, Example 532
CID 135222644
N-(4-pyridinylmethylene)-N-[4-({4-[(4-pyridinylmethylene)amino]phenyl}sulfonyl)phenyl]amine
CID 3654714
dimethyl-(4-methylphenyl)sulfanium;1-methyl-4-methylsulfanylbenzene;4-methylpyridine;methylsulfinylbenzene;N-phenylaniline;trifluoromethanesulfonate;trifluoromethanesulfonic acid
CID 158464091
dimethyl-(4-methylphenyl)sulfanium;1-methyl-4-methylsulfanylbenzene;4-methylpyridine;methylsulfinylbenzene;N-phenylaniline;trifluoromethanesulfonate
CID 161167860
dimethyl-[4-(4-methylphenyl)phenyl]sulfanium;1-methyl-4-(4-methylsulfanylphenyl)benzene;4-methylpyridine;1-methylsulfinyl-4-phenylbenzene;N-phenylaniline;trifluoromethanesulfonate
CID 161799044
4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide
CID 135022477
2-[5-(4-Methylphenyl)sulfonyl-2-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]phenyl]pyridine
CID 135022478

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine?
The IUPAC name of bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine (CID 139197145) is bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine.
What is the SMILES notation for bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine?
The canonical SMILES for bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine is Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.c1cc(-c2ccncc2)ccn1.
What is the InChIKey of bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine?
The InChIKey is QIGDYKQIVOHWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N2O2S.C10H8N2/c2*13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;1-5-11-6-2-9(1)10-3-7-12-8-4-10/h2*1-8H,13-14H2;1-8H.
What are the key properties of bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine?
bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine has a molecular weight of 652.80 g/mol, XLogP of 5.51, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-aminophenyl)sulfonylaniline);4-pyridin-4-ylpyridine is sourced from PubChem (CID 139197145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).