N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide

C18H22N2O5S2 — CID 42999256

IUPACN-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-15(14-25-2)19-27(23,24)18-10-8-17(9-11-18)20-26(21,22)13-12-16-6-4-3-5-7-16/h3-13,15,19-20H,14H2,1-2H3/b13-12+
InChIKeyOOVGPIQMYRIBQD-OUKQBFOZSA-N
MW410.52 g/mol
LogP2.41
Rot. Bonds9

About N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide

N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide (PubChem CID 42999256) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
PubChem CID42999256
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H22N2O5S2/c1-15(14-25-2)19-27(23,24)18-10-8-17(9-11-18)20-26(21,22)13-12-16-6-4-3-5-7-16/h3-13,15,19-20H,14H2,1-2H3/b13-12+
InChIKeyOOVGPIQMYRIBQD-OUKQBFOZSA-N
XLogP2.41
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide with MolForge

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Related Compounds

(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 42998818
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
4-ethyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 51183649
4-bromo-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
CID 42998830

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide (CID 42999256) is N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
The InChIKey is OOVGPIQMYRIBQD-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-15(14-25-2)19-27(23,24)18-10-8-17(9-11-18)20-26(21,22)13-12-16-6-4-3-5-7-16/h3-13,15,19-20H,14H2,1-2H3/b13-12+.
What are the key properties of N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide?
N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 42999256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).