N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide

C18H15F2N3O3S — CID 113037637

IUPACN-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C18H15F2N3O3S/c1-26-14-4-6-15(7-5-14)27(24,25)23-18-9-3-13(11-21-18)22-12-2-8-16(19)17(20)10-12/h2-11,22H,1H3,(H,21,23)
InChIKeyDMGMUKMLVYNBFC-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.91
Rot. Bonds6

About N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide

N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 113037637) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID113037637
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC NameN-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)c(F)c3)cn2)cc1
InChIInChI=1S/C18H15F2N3O3S/c1-26-14-4-6-15(7-5-14)27(24,25)23-18-9-3-13(11-21-18)22-12-2-8-16(19)17(20)10-12/h2-11,22H,1H3,(H,21,23)
InChIKeyDMGMUKMLVYNBFC-UHFFFAOYSA-N
XLogP3.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
CID 113037737
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 113017219
N-(3,4-difluorophenyl)-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910450

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide (CID 113037637) is N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)c(F)c3)cn2)cc1.
What is the InChIKey of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is DMGMUKMLVYNBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-26-14-4-6-15(7-5-14)27(24,25)23-18-9-3-13(11-21-18)22-12-2-8-16(19)17(20)10-12/h2-11,22H,1H3,(H,21,23).
What are the key properties of N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113037637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).