N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide

C32H30N4O2S — CID 130431950

IUPACN-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1cc(Nc2ccccc2)nc(Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C32H30N4O2S/c37-39(38,29-19-11-4-12-20-29)33-22-21-30(25-13-5-1-6-14-25)26-23-31(34-27-15-7-2-8-16-27)36-32(24-26)35-28-17-9-3-10-18-28/h1-20,23-24,30,33H,21-22H2,(H2,34,35,36)
InChIKeyIFIWWKYAFOKNRZ-UHFFFAOYSA-N
MW534.69 g/mol
LogP7.07
Rot. Bonds11

About N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide

N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide (PubChem CID 130431950) has the molecular formula C32H30N4O2S and a molecular weight of 534.69 g/mol. Its IUPAC name is N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide
PubChem CID130431950
Molecular FormulaC32H30N4O2S
Molecular Weight534.69 g/mol
Exact Mass534.21
IUPAC NameN-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide
SMILESO=S(=O)(NCCC(c1ccccc1)c1cc(Nc2ccccc2)nc(Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C32H30N4O2S/c37-39(38,29-19-11-4-12-20-29)33-22-21-30(25-13-5-1-6-14-25)26-23-31(34-27-15-7-2-8-16-27)36-32(24-26)35-28-17-9-3-10-18-28/h1-20,23-24,30,33H,21-22H2,(H2,34,35,36)
InChIKeyIFIWWKYAFOKNRZ-UHFFFAOYSA-N
XLogP7.07
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
N-(3,3-diphenylpropyl)-3,4-difluorobenzenesulfonamide
CID 3464514
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 74226733
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3729209
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
(2S)-4-(benzenesulfonamido)-2-bromobutanoic acid
CID 131850599
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[2-[[4-(4-cyanoanilino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 145171478

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide?
The IUPAC name of N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide (CID 130431950) is N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide is O=S(=O)(NCCC(c1ccccc1)c1cc(Nc2ccccc2)nc(Nc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide?
The InChIKey is IFIWWKYAFOKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2S/c37-39(38,29-19-11-4-12-20-29)33-22-21-30(25-13-5-1-6-14-25)26-23-31(34-27-15-7-2-8-16-27)36-32(24-26)35-28-17-9-3-10-18-28/h1-20,23-24,30,33H,21-22H2,(H2,34,35,36).
What are the key properties of N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide?
N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide has a molecular weight of 534.69 g/mol, XLogP of 7.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dianilino-4-pyridinyl)-3-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 130431950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).