N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide

C15H13ClN2O4S — CID 5434309

IUPACN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O4S/c1-10(11-2-7-14-15(8-11)22-9-21-14)17-18-23(19,20)13-5-3-12(16)4-6-13/h2-8,18H,9H2,1H3/b17-10-
InChIKeyOWQGFUFWFSKRDH-YVLHZVERSA-N
MW352.80 g/mol
LogP2.77
Rot. Bonds4

About N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide (PubChem CID 5434309) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide
PubChem CID5434309
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC NameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O4S/c1-10(11-2-7-14-15(8-11)22-9-21-14)17-18-23(19,20)13-5-3-12(16)4-6-13/h2-8,18H,9H2,1H3/b17-10-
InChIKeyOWQGFUFWFSKRDH-YVLHZVERSA-N
XLogP2.77
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide (CID 5434309) is N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide?
The InChIKey is OWQGFUFWFSKRDH-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-10(11-2-7-14-15(8-11)22-9-21-14)17-18-23(19,20)13-5-3-12(16)4-6-13/h2-8,18H,9H2,1H3/b17-10-.
What are the key properties of N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide?
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide has a molecular weight of 352.80 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 5434309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).