(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide

C15H15NO3S — CID 110518664

IUPAC(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
SMILESCCOc1ccc(/C=N\S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-19-14-10-8-13(9-11-14)12-16-20(17,18)15-6-4-3-5-7-15/h3-12H,2H2,1H3/b16-12-
InChIKeyNVTZJBBWRRKGLX-VBKFSLOCSA-N
MW289.36 g/mol
LogP2.89
Rot. Bonds5

About (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide

(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide (PubChem CID 110518664) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
PubChem CID110518664
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
SMILESCCOc1ccc(/C=N\S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-2-19-14-10-8-13(9-11-14)12-16-20(17,18)15-6-4-3-5-7-15/h3-12H,2H2,1H3/b16-12-
InChIKeyNVTZJBBWRRKGLX-VBKFSLOCSA-N
XLogP2.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
CID 110518819
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518761
(NZ)-N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518758
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
CID 90481154
4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 59234789
(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
CID 110518805
[3-[(4-ethoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126207081
[4-[(Z)-benzenesulfonyliminomethyl]phenyl] thiophene-2-carboxylate
CID 110518798

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide (CID 110518664) is (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide is CCOc1ccc(/C=N\S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide?
The InChIKey is NVTZJBBWRRKGLX-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-2-19-14-10-8-13(9-11-14)12-16-20(17,18)15-6-4-3-5-7-15/h3-12H,2H2,1H3/b16-12-.
What are the key properties of (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide?
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 110518664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).