4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

C20H24N2O4S — CID 1289291

IUPAC4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-21(27(24,25)19-12-10-18(26-2)11-13-19)17-8-6-16(7-9-17)20(23)22-14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3
InChIKeyFMTDKIOIYYKTDE-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.15
Rot. Bonds5

About 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1289291) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1289291
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-21(27(24,25)19-12-10-18(26-2)11-13-19)17-8-6-16(7-9-17)20(23)22-14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3
InChIKeyFMTDKIOIYYKTDE-UHFFFAOYSA-N
XLogP3.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1289291) is 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FMTDKIOIYYKTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-21(27(24,25)19-12-10-18(26-2)11-13-19)17-8-6-16(7-9-17)20(23)22-14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1289291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).