N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide

C24H18F2N4O3S — CID 5330829

IUPACN-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide
SMILESNc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C24H18F2N4O3S/c25-19-7-4-8-20(26)22(19)23(31)18-13-14-21(29-24(18)27)28-15-9-11-16(12-10-15)30-34(32,33)17-5-2-1-3-6-17/h1-14,30H,(H3,27,28,29)
InChIKeyGGKWBLVTSZVDLR-UHFFFAOYSA-N
MW480.50 g/mol
LogP4.72
Rot. Bonds7

About N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide

N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide (PubChem CID 5330829) has the molecular formula C24H18F2N4O3S and a molecular weight of 480.50 g/mol. Its IUPAC name is N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide
PubChem CID5330829
Molecular FormulaC24H18F2N4O3S
Molecular Weight480.50 g/mol
Exact Mass480.11
IUPAC NameN-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide
SMILESNc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C24H18F2N4O3S/c25-19-7-4-8-20(26)22(19)23(31)18-13-14-21(29-24(18)27)28-15-9-11-16(12-10-15)30-34(32,33)17-5-2-1-3-6-17/h1-14,30H,(H3,27,28,29)
InChIKeyGGKWBLVTSZVDLR-UHFFFAOYSA-N
XLogP4.72
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide (CID 5330829) is N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide is Nc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide?
The InChIKey is GGKWBLVTSZVDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3S/c25-19-7-4-8-20(26)22(19)23(31)18-13-14-21(29-24(18)27)28-15-9-11-16(12-10-15)30-34(32,33)17-5-2-1-3-6-17/h1-14,30H,(H3,27,28,29).
What are the key properties of N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide?
N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide has a molecular weight of 480.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 5330829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).