(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide

C15H13NO4S — CID 134998059

IUPAC(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H13NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-9-12-4-7-14-15(8-12)20-10-19-14/h2-9H,10H2,1H3/b16-9-
InChIKeyFAAORLFQSDBSJE-SXGWCWSVSA-N
MW303.34 g/mol
LogP2.53
Rot. Bonds3

About (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide

(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide (PubChem CID 134998059) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide
PubChem CID134998059
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C\c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H13NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-9-12-4-7-14-15(8-12)20-10-19-14/h2-9H,10H2,1H3/b16-9-
InChIKeyFAAORLFQSDBSJE-SXGWCWSVSA-N
XLogP2.53
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-diamino-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]methanimine oxide;4-methylbenzenesulfonic acid
CID 135571166
N-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1035452
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
N-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide
CID 15471008
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167
5-methyl-1,3-benzodioxole
CID 142082223
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 1283271
(E)-2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]ethenesulfonamide
CID 1484581
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 6134050

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide (CID 134998059) is (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C\c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide?
The InChIKey is FAAORLFQSDBSJE-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-11-2-5-13(6-3-11)21(17,18)16-9-12-4-7-14-15(8-12)20-10-19-14/h2-9H,10H2,1H3/b16-9-.
What are the key properties of (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 134998059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).