N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide

C19H18FN3O3S — CID 113033057

IUPACN-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C19H18FN3O3S/c1-13-7-9-17(26-2)18(11-13)27(24,25)23-19-10-8-14(12-21-19)22-16-6-4-3-5-15(16)20/h3-12,22H,1-2H3,(H,21,23)
InChIKeyJVNGMNZECVNRPB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.08
Rot. Bonds6

About N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide

N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 113033057) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID113033057
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2ccccc2F)cn1
InChIInChI=1S/C19H18FN3O3S/c1-13-7-9-17(26-2)18(11-13)27(24,25)23-19-10-8-14(12-21-19)22-16-6-4-3-5-15(16)20/h3-12,22H,1-2H3,(H,21,23)
InChIKeyJVNGMNZECVNRPB-UHFFFAOYSA-N
XLogP4.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
2-methoxy-5-methyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]benzenesulfonamide
CID 113023382
2-chloro-N-[5-(2-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113034036
2,5-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016171
N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113037114
2-methoxy-5-methyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009406
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
N-(2-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198831

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide (CID 113033057) is N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2ccccc2F)cn1.
What is the InChIKey of N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is JVNGMNZECVNRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-7-9-17(26-2)18(11-13)27(24,25)23-19-10-8-14(12-21-19)22-16-6-4-3-5-15(16)20/h3-12,22H,1-2H3,(H,21,23).
What are the key properties of N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoroanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 113033057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).