3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C17H18ClFN2O4S2 — CID 3952559

IUPAC3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O4S2/c18-16-12-14(7-8-17(16)19)26(22,23)20-13-5-4-6-15(11-13)27(24,25)21-9-2-1-3-10-21/h4-8,11-12,20H,1-3,9-10H2
InChIKeyFEZBWFVFPCGTTB-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.45
Rot. Bonds5

About 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 3952559) has the molecular formula C17H18ClFN2O4S2 and a molecular weight of 432.93 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID3952559
Molecular FormulaC17H18ClFN2O4S2
Molecular Weight432.93 g/mol
Exact Mass432.04
IUPAC Name3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O4S2/c18-16-12-14(7-8-17(16)19)26(22,23)20-13-5-4-6-15(11-13)27(24,25)21-9-2-1-3-10-21/h4-8,11-12,20H,1-3,9-10H2
InChIKeyFEZBWFVFPCGTTB-UHFFFAOYSA-N
XLogP3.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 3952559) is 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is FEZBWFVFPCGTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O4S2/c18-16-12-14(7-8-17(16)19)26(22,23)20-13-5-4-6-15(11-13)27(24,25)21-9-2-1-3-10-21/h4-8,11-12,20H,1-3,9-10H2.
What are the key properties of 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 432.93 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 3952559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).