N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide

C13H9Cl2NO4S — CID 3716276

IUPACN-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-8-1-4-13(10(15)5-8)21(17,18)16-9-2-3-11-12(6-9)20-7-19-11/h1-6,16H,7H2
InChIKeyUENIFCSXQGRJID-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.52
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide (PubChem CID 3716276) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
PubChem CID3716276
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-8-1-4-13(10(15)5-8)21(17,18)16-9-2-3-11-12(6-9)20-7-19-11/h1-6,16H,7H2
InChIKeyUENIFCSXQGRJID-UHFFFAOYSA-N
XLogP3.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
N-(1,3-benzodioxol-5-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
CID 3842403
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2089595
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
2-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
CID 62163676

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide (CID 3716276) is N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide?
The InChIKey is UENIFCSXQGRJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-8-1-4-13(10(15)5-8)21(17,18)16-9-2-3-11-12(6-9)20-7-19-11/h1-6,16H,7H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide has a molecular weight of 346.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 3716276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).