N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide

C18H20N2O4S — CID 6134050

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(2)9-14-3-6-16(7-4-14)25(21,22)20-19-11-15-5-8-17-18(10-15)24-12-23-17/h3-8,10-11,13,20H,9,12H2,1-2H3/b19-11-
InChIKeyBIUAGKYVSJYYNW-ODLFYWEKSA-N
MW360.44 g/mol
LogP2.93
Rot. Bonds6

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 6134050) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID6134050
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(2)9-14-3-6-16(7-4-14)25(21,22)20-19-11-15-5-8-17-18(10-15)24-12-23-17/h3-8,10-11,13,20H,9,12H2,1-2H3/b19-11-
InChIKeyBIUAGKYVSJYYNW-ODLFYWEKSA-N
XLogP2.93
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-dimethoxybenzenesulfonamide
CID 25237237
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 1283271
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873841
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide
CID 134998059
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 135647683
4-methyl-N-[(E)-[4-(propan-2-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
CID 170774931
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
N-[(1-benzylindol-3-yl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 4508949
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3887522
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide (CID 6134050) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is BIUAGKYVSJYYNW-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(2)9-14-3-6-16(7-4-14)25(21,22)20-19-11-15-5-8-17-18(10-15)24-12-23-17/h3-8,10-11,13,20H,9,12H2,1-2H3/b19-11-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 6134050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).