N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

C19H18FN3O2S — CID 113011508

IUPACN-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nc2)ccc1F
InChIInChI=1S/C19H18FN3O2S/c1-14-11-17(8-9-18(14)20)26(24,25)23-16-7-10-19(22-13-16)21-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3,(H,21,22)
InChIKeyIBDZGDNBFFWMGH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.94
Rot. Bonds6

About N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113011508) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113011508
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nc2)ccc1F
InChIInChI=1S/C19H18FN3O2S/c1-14-11-17(8-9-18(14)20)26(24,25)23-16-7-10-19(22-13-16)21-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3,(H,21,22)
InChIKeyIBDZGDNBFFWMGH-UHFFFAOYSA-N
XLogP3.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[6-(benzylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113011505
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113020457
2-methyl-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011741
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113011508) is N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nc2)ccc1F.
What is the InChIKey of N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is IBDZGDNBFFWMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-14-11-17(8-9-18(14)20)26(24,25)23-16-7-10-19(22-13-16)21-12-15-5-3-2-4-6-15/h2-11,13,23H,12H2,1H3,(H,21,22).
What are the key properties of N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113011508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).