N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide

C26H20FN5O2S — CID 157043932

IUPACN-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1ccc(Nc2ccncc2)cc1
InChIInChI=1S/C26H20FN5O2S/c27-18-1-10-25-24(17-18)26(13-16-29-25)31-20-2-4-22(5-3-20)32-35(33,34)23-8-6-19(7-9-23)30-21-11-14-28-15-12-21/h1-17,32H,(H,28,30)(H,29,31)
InChIKeyREXBDEQYQZPAGI-UHFFFAOYSA-N
MW485.54 g/mol
LogP6.06
Rot. Bonds7

About N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide

N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide (PubChem CID 157043932) has the molecular formula C26H20FN5O2S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
PubChem CID157043932
Molecular FormulaC26H20FN5O2S
Molecular Weight485.54 g/mol
Exact Mass485.13
IUPAC NameN-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1ccc(Nc2ccncc2)cc1
InChIInChI=1S/C26H20FN5O2S/c27-18-1-10-25-24(17-18)26(13-16-29-25)31-20-2-4-22(5-3-20)32-35(33,34)23-8-6-19(7-9-23)30-21-11-14-28-15-12-21/h1-17,32H,(H,28,30)(H,29,31)
InChIKeyREXBDEQYQZPAGI-UHFFFAOYSA-N
XLogP6.06
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)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-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
CID 157043714
4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
CID 39850795
N-[3-[(6-isocyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 171750577
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
ethane;N-[4-(pyridin-4-ylamino)phenyl]-4-[(6-sulfamoylquinolin-4-yl)amino]benzamide
CID 157043861
4-N-pyridin-4-ylquinoline-4,6-diamine
CID 91040633
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide
CID 170228485
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine
CID 157043478

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide?
The IUPAC name of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide (CID 157043932) is N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1ccc(Nc2ccncc2)cc1.
What is the InChIKey of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide?
The InChIKey is REXBDEQYQZPAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2S/c27-18-1-10-25-24(17-18)26(13-16-29-25)31-20-2-4-22(5-3-20)32-35(33,34)23-8-6-19(7-9-23)30-21-11-14-28-15-12-21/h1-17,32H,(H,28,30)(H,29,31).
What are the key properties of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide?
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide has a molecular weight of 485.54 g/mol, XLogP of 6.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 157043932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).