2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

C26H20F2N6O2S — CID 118302650

IUPAC2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc2ccc(Nc3cc(-c4cnc(C)c(NS(=O)(=O)c5ccc(F)cc5F)c4)ccn3)nc2n1
InChIInChI=1S/C26H20F2N6O2S/c1-15-3-4-17-5-8-24(33-26(17)31-15)32-25-12-18(9-10-29-25)19-11-22(16(2)30-14-19)34-37(35,36)23-7-6-20(27)13-21(23)28/h3-14,34H,1-2H3,(H,29,31,32,33)
InChIKeyJEAMTIZHMVGKPY-UHFFFAOYSA-N
MW518.55 g/mol
LogP5.53
Rot. Bonds6

About 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 118302650) has the molecular formula C26H20F2N6O2S and a molecular weight of 518.55 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
PubChem CID118302650
Molecular FormulaC26H20F2N6O2S
Molecular Weight518.55 g/mol
Exact Mass518.13
IUPAC Name2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc2ccc(Nc3cc(-c4cnc(C)c(NS(=O)(=O)c5ccc(F)cc5F)c4)ccn3)nc2n1
InChIInChI=1S/C26H20F2N6O2S/c1-15-3-4-17-5-8-24(33-26(17)31-15)32-25-12-18(9-10-29-25)19-11-22(16(2)30-14-19)34-37(35,36)23-7-6-20(27)13-21(23)28/h3-14,34H,1-2H3,(H,29,31,32,33)
InChIKeyJEAMTIZHMVGKPY-UHFFFAOYSA-N
XLogP5.53
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.55
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

5-(5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl)pyridine-3-sulfonamide
CID 51030730
N-(2-Chloro-5-(3-(piperazin-1-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44608429
N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609388
N-[2-chloro-5-[3-(4,4-difluoropiperidin-1-yl)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
CID 44610163
N-[2-chloro-5-(3-piperidin-1-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610316
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
5-{3-[(4-{3-[4-(1-Methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
CID 56955955
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 145966764
US10167270, Example 26
CID 25708371
N,N-diethyl-5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridine-2-sulfonamide
CID 42643598
3-(1-Piperidinylsulfonyl)-5-[4-(4-pyridinyl)-6-quinolinyl]-2-pyridinamine
CID 44526983
N-(2-chloro-5-(1,8-naphthyridin-3-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44610008

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide (CID 118302650) is 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is Cc1ccc2ccc(Nc3cc(-c4cnc(C)c(NS(=O)(=O)c5ccc(F)cc5F)c4)ccn3)nc2n1.
What is the InChIKey of 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is JEAMTIZHMVGKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O2S/c1-15-3-4-17-5-8-24(33-26(17)31-15)32-25-12-18(9-10-29-25)19-11-22(16(2)30-14-19)34-37(35,36)23-7-6-20(27)13-21(23)28/h3-14,34H,1-2H3,(H,29,31,32,33).
What are the key properties of 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 518.55 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methyl-5-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-4-pyridinyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118302650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).