4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide

C19H21FN2O3S — CID 23518821

IUPAC4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-22-11-9-14(10-12-22)19(23)15-3-2-4-17(13-15)21-26(24,25)18-7-5-16(20)6-8-18/h2-8,13-14,21H,9-12H2,1H3
InChIKeyDDFDDNZURGBSNJ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.15
Rot. Bonds5

About 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide

4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 23518821) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID23518821
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-22-11-9-14(10-12-22)19(23)15-3-2-4-17(13-15)21-26(24,25)18-7-5-16(20)6-8-18/h2-8,13-14,21H,9-12H2,1H3
InChIKeyDDFDDNZURGBSNJ-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide (CID 23518821) is 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide is CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is DDFDDNZURGBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-22-11-9-14(10-12-22)19(23)15-3-2-4-17(13-15)21-26(24,25)18-7-5-16(20)6-8-18/h2-8,13-14,21H,9-12H2,1H3.
What are the key properties of 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide?
4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(1-methylpiperidine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23518821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).