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

C21H20F2N4O3S — CID 146525110

IUPACN-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2ccc(F)cc2F)c(-c2cc(NC)c(=O)n(C)c2)c1
InChIInChI=1S/C21H20F2N4O3S/c1-4-31(29,30)26-15-6-8-18(25-19-7-5-14(22)10-17(19)23)16(11-15)13-9-20(24-2)21(28)27(3)12-13/h4-12,24-26H,1H2,2-3H3
InChIKeyXTWCPNVESBSWJM-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.00
Rot. Bonds7

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

N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide (PubChem CID 146525110) has the molecular formula C21H20F2N4O3S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
PubChem CID146525110
Molecular FormulaC21H20F2N4O3S
Molecular Weight446.48 g/mol
Exact Mass446.12
IUPAC NameN-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Nc2ccc(F)cc2F)c(-c2cc(NC)c(=O)n(C)c2)c1
InChIInChI=1S/C21H20F2N4O3S/c1-4-31(29,30)26-15-6-8-18(25-19-7-5-14(22)10-17(19)23)16(11-15)13-9-20(24-2)21(28)27(3)12-13/h4-12,24-26H,1H2,2-3H3
InChIKeyXTWCPNVESBSWJM-UHFFFAOYSA-N
XLogP4.00
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
N-(1-methyl-2-oxoquinolin-6-yl)cyclohexanesulfonamide
CID 118918719
N~1~-(4-fluorophenyl)-N~2~-(2-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 801874
N~2~-(4-fluorophenyl)-N~1~-(2-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 846451
N~1~-(4-fluorophenyl)-N~2~-(3-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 881515
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1303815
2-[(2-Fluoro-phenyl)-methanesulfonyl-amino]-N-(1-phenyl-ethyl)-acetamide
CID 2888964
2-[Methanesulfonyl-(3-trifluoromethyl-phenyl)-amino]-N-(1-phenyl-ethyl)-acetamide
CID 2890670
N-(2-Amino-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44344167
US11192900, Example S-43
CID 146525122
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1210588
Cambridge id 6802433
CID 1320434

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
The IUPAC name of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide (CID 146525110) is N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
The canonical SMILES for N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Nc2ccc(F)cc2F)c(-c2cc(NC)c(=O)n(C)c2)c1.
What is the InChIKey of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
The InChIKey is XTWCPNVESBSWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S/c1-4-31(29,30)26-15-6-8-18(25-19-7-5-14(22)10-17(19)23)16(11-15)13-9-20(24-2)21(28)27(3)12-13/h4-12,24-26H,1H2,2-3H3.
What are the key properties of N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide?
N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide has a molecular weight of 446.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluoroanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 146525110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).