4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

C18H16FN3O2S — CID 113016275

IUPAC4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C18H16FN3O2S/c1-13-3-2-4-15(11-13)21-18-10-7-16(12-20-18)22-25(23,24)17-8-5-14(19)6-9-17/h2-12,22H,1H3,(H,20,21)
InChIKeyLWOWHFZBMLYCRK-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.07
Rot. Bonds5

About 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016275) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016275
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C18H16FN3O2S/c1-13-3-2-4-15(11-13)21-18-10-7-16(12-20-18)22-25(23,24)17-8-5-14(19)6-9-17/h2-12,22H,1H3,(H,20,21)
InChIKeyLWOWHFZBMLYCRK-UHFFFAOYSA-N
XLogP4.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
CID 113021324
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
CID 113037737

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016275) is 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cn2)c1.
What is the InChIKey of 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is LWOWHFZBMLYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-13-3-2-4-15(11-13)21-18-10-7-16(12-20-18)22-25(23,24)17-8-5-14(19)6-9-17/h2-12,22H,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).