N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide

C19H17F2N3O2S — CID 113036484

IUPACN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)cn2)c(C)c1
InChIInChI=1S/C19H17F2N3O2S/c1-12-3-7-18(13(2)9-12)27(25,26)24-19-8-5-15(11-22-19)23-17-6-4-14(20)10-16(17)21/h3-11,23H,1-2H3,(H,22,24)
InChIKeySAEDVXPLMUMWTM-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.52
Rot. Bonds5

About N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide

N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113036484) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
PubChem CID113036484
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)cn2)c(C)c1
InChIInChI=1S/C19H17F2N3O2S/c1-12-3-7-18(13(2)9-12)27(25,26)24-19-8-5-15(11-22-19)23-17-6-4-14(20)10-16(17)21/h3-11,23H,1-2H3,(H,22,24)
InChIKeySAEDVXPLMUMWTM-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113033057
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
N-[6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113013339
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide (CID 113036484) is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)cn2)c(C)c1.
What is the InChIKey of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is SAEDVXPLMUMWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-12-3-7-18(13(2)9-12)27(25,26)24-19-8-5-15(11-22-19)23-17-6-4-14(20)10-16(17)21/h3-11,23H,1-2H3,(H,22,24).
What are the key properties of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide?
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113036484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).