N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide

C26H20FN5O2S — CID 157043714

IUPACN-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(Nc2ccncc2)c1
InChIInChI=1S/C26H20FN5O2S/c27-18-4-9-25-24(16-18)26(12-15-29-25)31-19-5-7-21(8-6-19)32-35(33,34)23-3-1-2-22(17-23)30-20-10-13-28-14-11-20/h1-17,32H,(H,28,30)(H,29,31)
InChIKeyQNAOMWKPRGQHLY-UHFFFAOYSA-N
MW485.54 g/mol
LogP6.06
Rot. Bonds7

About N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide

N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide (PubChem CID 157043714) 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]-3-(pyridin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
PubChem CID157043714
Molecular FormulaC26H20FN5O2S
Molecular Weight485.54 g/mol
Exact Mass485.13
IUPAC NameN-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(Nc2ccncc2)c1
InChIInChI=1S/C26H20FN5O2S/c27-18-4-9-25-24(16-18)26(12-15-29-25)31-19-5-7-21(8-6-19)32-35(33,34)23-3-1-2-22(17-23)30-20-10-13-28-14-11-20/h1-17,32H,(H,28,30)(H,29,31)
InChIKeyQNAOMWKPRGQHLY-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

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Related Compounds

N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 157043932
N-[3-[(6-isocyanoquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 171750577
4-fluoro-3-[(6-fluoroquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 157042717
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]formamide;6-fluoro-N-(4-methylphenyl)quinolin-4-amine
CID 157043478
4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
CID 39850795
3-[(6-fluoroquinolin-4-yl)amino]-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166834800
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
N-(3-anilino-5-fluorophenyl)-3-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 170001867
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide?
The IUPAC name of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide (CID 157043714) is N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2ccnc3ccc(F)cc23)cc1)c1cccc(Nc2ccncc2)c1.
What is the InChIKey of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide?
The InChIKey is QNAOMWKPRGQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2S/c27-18-4-9-25-24(16-18)26(12-15-29-25)31-19-5-7-21(8-6-19)32-35(33,34)23-3-1-2-22(17-23)30-20-10-13-28-14-11-20/h1-17,32H,(H,28,30)(H,29,31).
What are the key properties of N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(pyridin-4-ylamino)benzenesulfonamide?
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-3-(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]-3-(pyridin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 157043714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).