N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide

C23H25FN4O3S — CID 146575713

IUPACN-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2c(C)cc(F)cc2C)c(-n2cc(C)c(=O)c(NC)c2)c1
InChIInChI=1S/C23H25FN4O3S/c1-6-32(30,31)27-18-7-8-19(26-22-14(2)9-17(24)10-15(22)3)21(11-18)28-12-16(4)23(29)20(13-28)25-5/h6-13,25-27H,1H2,2-5H3
InChIKeyBYLVQZFNHBCZTI-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.57
Rot. Bonds7

About N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide

N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide (PubChem CID 146575713) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide
PubChem CID146575713
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2c(C)cc(F)cc2C)c(-n2cc(C)c(=O)c(NC)c2)c1
InChIInChI=1S/C23H25FN4O3S/c1-6-32(30,31)27-18-7-8-19(26-22-14(2)9-17(24)10-15(22)3)21(11-18)28-12-16(4)23(29)20(13-28)25-5/h6-13,25-27H,1H2,2-5H3
InChIKeyBYLVQZFNHBCZTI-UHFFFAOYSA-N
XLogP4.57
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylanilino)phenyl]-N-ethyl-6-methyl-7-oxofuro[2,3-c]pyridine-2-carboxamide
CID 146575638
N-[3-(4-fluoroanilino)-2-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
CID 146575658
N-(2-anilino-3,4-difluoro-6-methylphenyl)ethenesulfonamide
CID 59386338
N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
CID 146575864
N-[4-(4-fluoro-2,6-dimethylanilino)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]prop-2-enamide
CID 146574258
N-[4-(4-chloro-3-fluoroanilino)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethenesulfonamide
CID 146575913
N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide
CID 146575652
N-(3-methylphenyl)ethenesulfonamide
CID 58724758
N-[4-(4-chloroanilino)-3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
CID 146576594
N-[3-(2-methyl-1-oxoisoquinolin-4-yl)-4-[(2,4,6-trimethylphenyl)methyl]phenyl]ethenesulfonamide
CID 163939863
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
CID 160859383

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide?
The IUPAC name of N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide (CID 146575713) is N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide.
What is the SMILES notation for N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide?
The canonical SMILES for N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Nc2c(C)cc(F)cc2C)c(-n2cc(C)c(=O)c(NC)c2)c1.
What is the InChIKey of N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide?
The InChIKey is BYLVQZFNHBCZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-6-32(30,31)27-18-7-8-19(26-22-14(2)9-17(24)10-15(22)3)21(11-18)28-12-16(4)23(29)20(13-28)25-5/h6-13,25-27H,1H2,2-5H3.
What are the key properties of N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide?
N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide has a molecular weight of 456.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2,6-dimethylanilino)-3-[3-methyl-5-(methylamino)-4-oxo-1-pyridinyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 146575713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).