4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C18H20FN3O3S — CID 2333468

IUPAC4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c1-21-10-12-22(13-11-21)18(23)16-4-2-3-5-17(16)20-26(24,25)15-8-6-14(19)7-9-15/h2-9,20H,10-13H2,1H3
InChIKeyZXJLVQLQTZESSR-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.01
Rot. Bonds4

About 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 2333468) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID2333468
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O3S/c1-21-10-12-22(13-11-21)18(23)16-4-2-3-5-17(16)20-26(24,25)15-8-6-14(19)7-9-15/h2-9,20H,10-13H2,1H3
InChIKeyZXJLVQLQTZESSR-UHFFFAOYSA-N
XLogP2.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 2333468) is 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is CN1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ZXJLVQLQTZESSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-21-10-12-22(13-11-21)18(23)16-4-2-3-5-17(16)20-26(24,25)15-8-6-14(19)7-9-15/h2-9,20H,10-13H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 377.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2333468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).