N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C27H20F2N4O5S2 — CID 66800571

IUPACN-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c(S(=O)(=O)c4ccccc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H20F2N4O5S2/c1-38-27-23(33-40(36,37)24-10-8-19(28)14-21(24)29)12-18(15-31-27)16-7-9-22-17(11-16)13-25(26(30)32-22)39(34,35)20-5-3-2-4-6-20/h2-15,33H,1H3,(H2,30,32)
InChIKeyIJQYGNFPAYGCJF-UHFFFAOYSA-N
MW582.61 g/mol
LogP4.80
Rot. Bonds7

About N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 66800571) has the molecular formula C27H20F2N4O5S2 and a molecular weight of 582.61 g/mol. Its IUPAC name is N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID66800571
Molecular FormulaC27H20F2N4O5S2
Molecular Weight582.61 g/mol
Exact Mass582.08
IUPAC NameN-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c(S(=O)(=O)c4ccccc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C27H20F2N4O5S2/c1-38-27-23(33-40(36,37)24-10-8-19(28)14-21(24)29)12-18(15-31-27)16-7-9-22-17(11-16)13-25(26(30)32-22)39(34,35)20-5-3-2-4-6-20/h2-15,33H,1H3,(H2,30,32)
InChIKeyIJQYGNFPAYGCJF-UHFFFAOYSA-N
XLogP4.80
TPSA141.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.61
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[2-amino-3-(2-ethylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66800685
3-[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]prop-2-enoic acid
CID 77170492
N-[5-[2-amino-3-(methanesulfonamidomethyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123519220
N-[5-[2-amino-3-[3-(trifluoromethoxy)phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66806834
N-[[2-amino-6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinolin-3-yl]methyl]acetamide
CID 66806999
N-[5-[2-amino-3-(1,3-benzodioxol-5-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57330792
N-[5-[2-amino-3-(2-methoxy-5-propan-2-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66800560
N-[5-[2-amino-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66806965
N-[5-[2-amino-3-[4-(piperazine-1-carbonyl)phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57331030
N-[5-[2-amino-3-(3-methylphenyl)-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406339
N-[5-[4-amino-3-(butylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123172493
N-[5-[4-amino-3-(3-iodopropylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 89304055

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 66800571) is N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2ccc3nc(N)c(S(=O)(=O)c4ccccc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is IJQYGNFPAYGCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O5S2/c1-38-27-23(33-40(36,37)24-10-8-19(28)14-21(24)29)12-18(15-31-27)16-7-9-22-17(11-16)13-25(26(30)32-22)39(34,35)20-5-3-2-4-6-20/h2-15,33H,1H3,(H2,30,32).
What are the key properties of N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 582.61 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-3-(benzenesulfonyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66800571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).