4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide

C19H24FN3O3S — CID 67303827

IUPAC4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1N(C)C1CCNCC1
InChIInChI=1S/C19H24FN3O3S/c1-23(16-9-11-21-12-10-16)18-13-15(5-8-19(18)26-2)22-27(24,25)17-6-3-14(20)4-7-17/h3-8,13,16,21-22H,9-12H2,1-2H3
InChIKeyFCTFFZQVBBZQPB-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.82
Rot. Bonds6

About 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide

4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 67303827) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID67303827
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1N(C)C1CCNCC1
InChIInChI=1S/C19H24FN3O3S/c1-23(16-9-11-21-12-10-16)18-13-15(5-8-19(18)26-2)22-27(24,25)17-6-3-14(20)4-7-17/h3-8,13,16,21-22H,9-12H2,1-2H3
InChIKeyFCTFFZQVBBZQPB-UHFFFAOYSA-N
XLogP2.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide (CID 67303827) is 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1N(C)C1CCNCC1.
What is the InChIKey of 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is FCTFFZQVBBZQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-23(16-9-11-21-12-10-16)18-13-15(5-8-19(18)26-2)22-27(24,25)17-6-3-14(20)4-7-17/h3-8,13,16,21-22H,9-12H2,1-2H3.
What are the key properties of 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide?
4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 393.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methoxy-3-[methyl(piperidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 67303827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).