4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide

C20H19FN4O3S — CID 5330833

IUPAC4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)cc1
InChIInChI=1S/C20H19FN4O3S/c1-25(2)29(27,28)14-9-7-13(8-10-14)23-18-12-11-16(20(22)24-18)19(26)15-5-3-4-6-17(15)21/h3-12H,1-2H3,(H3,22,23,24)
InChIKeyMCXBMHUPAVVMAN-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.03
Rot. Bonds6

About 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide

4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 5330833) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID5330833
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)cc1
InChIInChI=1S/C20H19FN4O3S/c1-25(2)29(27,28)14-9-7-13(8-10-14)23-18-12-11-16(20(22)24-18)19(26)15-5-3-4-6-17(15)21/h3-12H,1-2H3,(H3,22,23,24)
InChIKeyMCXBMHUPAVVMAN-UHFFFAOYSA-N
XLogP3.03
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide with MolForge

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Related Compounds

3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
3-Acyl-2,6-diaminopyridine deriv. 2o
CID 5330829
3-Acyl-2,6-diaminopyridine deriv. 2p
CID 5330830
3-Acyl-2,6-diaminopyridine deriv. 2r
CID 5330832
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
3-Acyl-2,6-diaminopyridine deriv. 2t
CID 5330834
N-(2,6-dimethylpyrimidin-4-yl)-4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1224219
3-[methyl(phenyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 2334656
3-Acyl-2,6-diaminopyridine deriv. 2a
CID 5330815
3-Acyl-2,6-diaminopyridine deriv. 2f
CID 5330820
3-Acyl-2,6-diaminopyridine deriv. 2g
CID 5330821

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide (CID 5330833) is 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)cc1.
What is the InChIKey of 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MCXBMHUPAVVMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-25(2)29(27,28)14-9-7-13(8-10-14)23-18-12-11-16(20(22)24-18)19(26)15-5-3-4-6-17(15)21/h3-12H,1-2H3,(H3,22,23,24).
What are the key properties of 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 414.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-5-(2-fluorobenzoyl)-2-pyridinyl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 5330833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).