N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide

C22H20F3N5O3S — CID 25073777

IUPACN-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O3S/c1-26-34(32,33)19-5-3-2-4-17(19)29-18-11-20(27-12-15(18)22(23,24)25)28-14-7-8-16-13(10-14)6-9-21(31)30-16/h2-5,7-8,10-12,26H,6,9H2,1H3,(H,30,31)(H2,27,28,29)
InChIKeyMVAGVFJMGYSCGX-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.38
Rot. Bonds6

About N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide

N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide (PubChem CID 25073777) has the molecular formula C22H20F3N5O3S and a molecular weight of 491.50 g/mol. Its IUPAC name is N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide
PubChem CID25073777
Molecular FormulaC22H20F3N5O3S
Molecular Weight491.50 g/mol
Exact Mass491.12
IUPAC NameN-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O3S/c1-26-34(32,33)19-5-3-2-4-17(19)29-18-11-20(27-12-15(18)22(23,24)25)28-14-7-8-16-13(10-14)6-9-21(31)30-16/h2-5,7-8,10-12,26H,6,9H2,1H3,(H,30,31)(H2,27,28,29)
InChIKeyMVAGVFJMGYSCGX-UHFFFAOYSA-N
XLogP4.38
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

PF-562271
CID 11713159
PF-573228
CID 11612883
N-Methyl-N-(2-(((2-((2-oxo-2,3-dihydro-1H-indol-5-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
CID 11598628
PF-562271 besylate
CID 16118986
2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide
CID 25157614
25-(Methylsulfonyl)-8-(Trifluoromethyl)-5,17,18,21,22,23,24,25-Octahydro-12h-7,11-(Azeno)-16,13-(Metheno)pyrido[3,2-I]pyrrolo[1,2-Q][1,3,7,11,17]pentaazacyclohenicosin-20(6h)-One
CID 134130812
N-methyl-N-(3-((2-(2-oxoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide
CID 21952489
6-[[4-(Trifluoromethyl)-2-pyridyl]amino]-3,4-dihydroquinoline-2(1H)-one
CID 86342400
N-methyl-N-[3-[[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
CID 11706305
2-({9-ethyl-8,8-dioxo-8lambda6-thia-3,5,9-triazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2(7),3,5,10,12-hexaen-4-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16025507
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 24819723
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide (CID 25073777) is N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)N3)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
The InChIKey is MVAGVFJMGYSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3S/c1-26-34(32,33)19-5-3-2-4-17(19)29-18-11-20(27-12-15(18)22(23,24)25)28-14-7-8-16-13(10-14)6-9-21(31)30-16/h2-5,7-8,10-12,26H,6,9H2,1H3,(H,30,31)(H2,27,28,29).
What are the key properties of N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide has a molecular weight of 491.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 25073777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).