3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide

C19H24N2O2S — CID 24877807

IUPAC3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CC(c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)C1
InChIInChI=1S/C19H24N2O2S/c1-3-10-21-13-17(14-21)16-7-5-8-18(12-16)20-24(22,23)19-9-4-6-15(2)11-19/h4-9,11-12,17,20H,3,10,13-14H2,1-2H3
InChIKeyAMAKUHWXNGIFFW-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.61
Rot. Bonds6

About 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide

3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide (PubChem CID 24877807) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
PubChem CID24877807
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CC(c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)C1
InChIInChI=1S/C19H24N2O2S/c1-3-10-21-13-17(14-21)16-7-5-8-18(12-16)20-24(22,23)19-9-4-6-15(2)11-19/h4-9,11-12,17,20H,3,10,13-14H2,1-2H3
InChIKeyAMAKUHWXNGIFFW-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
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3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
6-[(3-methylphenyl)sulfonylamino]-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid;trihydrochloride
CID 146057120
3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097762
3-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)benzenesulfonamide
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3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 22283003

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide (CID 24877807) is 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide is CCCN1CC(c2cccc(NS(=O)(=O)c3cccc(C)c3)c2)C1.
What is the InChIKey of 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is AMAKUHWXNGIFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-10-21-13-17(14-21)16-7-5-8-18(12-16)20-24(22,23)19-9-4-6-15(2)11-19/h4-9,11-12,17,20H,3,10,13-14H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide?
3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24877807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).