N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide

C22H24FN3O2S — CID 10182370

IUPACN-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
SMILESCc1ccc(F)cc1N(C)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12
InChIInChI=1S/C22H24FN3O2S/c1-16-7-8-17(23)15-21(16)25(2)29(27,28)22-10-9-20(26-13-11-24-12-14-26)18-5-3-4-6-19(18)22/h3-10,15,24H,11-14H2,1-2H3
InChIKeyWCYIKUKTIYOFBG-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.52
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide

N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide (PubChem CID 10182370) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
PubChem CID10182370
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC NameN-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide
SMILESCc1ccc(F)cc1N(C)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12
InChIInChI=1S/C22H24FN3O2S/c1-16-7-8-17(23)15-21(16)25(2)29(27,28)22-10-9-20(26-13-11-24-12-14-26)18-5-3-4-6-19(18)22/h3-10,15,24H,11-14H2,1-2H3
InChIKeyWCYIKUKTIYOFBG-UHFFFAOYSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide (CID 10182370) is N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide is Cc1ccc(F)cc1N(C)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
The InChIKey is WCYIKUKTIYOFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-16-7-8-17(23)15-21(16)25(2)29(27,28)22-10-9-20(26-13-11-24-12-14-26)18-5-3-4-6-19(18)22/h3-10,15,24H,11-14H2,1-2H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide?
N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide has a molecular weight of 413.52 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-N-methyl-4-piperazin-1-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 10182370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).