N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide

C23H21F3N4O3S — CID 58155165

IUPACN-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3S/c1-27-34(32,33)21-5-3-2-4-19(21)30-20-12-22(28-13-18(20)23(24,25)26)29-16-8-6-15-11-17(31)9-7-14(15)10-16/h2-6,8,10,12-13,27H,7,9,11H2,1H3,(H2,28,29,30)
InChIKeyAPZJANGZXZVTQP-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.55
Rot. Bonds6

About N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide

N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide (PubChem CID 58155165) has the molecular formula C23H21F3N4O3S and a molecular weight of 490.51 g/mol. Its IUPAC name is N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide
PubChem CID58155165
Molecular FormulaC23H21F3N4O3S
Molecular Weight490.51 g/mol
Exact Mass490.13
IUPAC NameN-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O3S/c1-27-34(32,33)21-5-3-2-4-19(21)30-20-12-22(28-13-18(20)23(24,25)26)29-16-8-6-15-11-17(31)9-7-14(15)10-16/h2-6,8,10,12-13,27H,7,9,11H2,1H3,(H2,28,29,30)
InChIKeyAPZJANGZXZVTQP-UHFFFAOYSA-N
XLogP4.55
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-amino-5-(naphthalen-2-ylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293603
4-N-(3-aminopropyl)-2-N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-6-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 172445386
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 117074215
3-[[5-fluoro-4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25061130
4-[[5-fluoro-4-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25061893
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyridin-4-yl]amino]benzenesulfonamide
CID 25073777
N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroinden-5-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 58155048
6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dihydro-1H-naphthalen-2-one
CID 58155137
2-(5-Acetyl-2-fluoroanilino)-4-(2-sulfamoylanilino)pyrimidine-5-carboxamide
CID 59145743
N-[4-(13,13-dioxo-13lambda6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaen-6-yl)-2-fluorophenyl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 59663697
N-[4-(13,13-dioxo-13lambda6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaen-6-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59663700
N-[4-(13,13-dioxo-13lambda6-thia-2,4,8,12,19-pentazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaen-6-yl)-2-fluorophenyl]-2-methyl-2-[2-(trifluoromethyl)phenyl]propanamide
CID 59663734

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide (CID 58155165) is N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
The InChIKey is APZJANGZXZVTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3S/c1-27-34(32,33)21-5-3-2-4-19(21)30-20-12-22(28-13-18(20)23(24,25)26)29-16-8-6-15-11-17(31)9-7-14(15)10-16/h2-6,8,10,12-13,27H,7,9,11H2,1H3,(H2,28,29,30).
What are the key properties of N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide?
N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide has a molecular weight of 490.51 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 58155165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).