N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide

C18H15F2N3O2S — CID 113023281

IUPACN-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C18H15F2N3O2S/c1-12-4-2-3-5-17(12)26(24,25)23-14-7-9-18(21-11-14)22-13-6-8-15(19)16(20)10-13/h2-11,23H,1H3,(H,21,22)
InChIKeyXVZKRBYSNAUTAB-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.21
Rot. Bonds5

About N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide

N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 113023281) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID113023281
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC NameN-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C18H15F2N3O2S/c1-12-4-2-3-5-17(12)26(24,25)23-14-7-9-18(21-11-14)22-13-6-8-15(19)16(20)10-13/h2-11,23H,1H3,(H,21,22)
InChIKeyXVZKRBYSNAUTAB-UHFFFAOYSA-N
XLogP4.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
methyl 2-[[5-[(2-methylphenyl)sulfonylamino]-2-pyridinyl]amino]benzoate
CID 113020658
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113023246
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide (CID 113023281) is N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is XVZKRBYSNAUTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c1-12-4-2-3-5-17(12)26(24,25)23-14-7-9-18(21-11-14)22-13-6-8-15(19)16(20)10-13/h2-11,23H,1H3,(H,21,22).
What are the key properties of N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide?
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 375.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113023281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).