(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide

C26H21NO2S — CID 139236527

IUPAC(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/C=C/c2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C26H21NO2S/c1-20-14-17-24(18-15-20)30(28,29)27-26(23-9-3-2-4-10-23)19-16-22-12-7-11-21-8-5-6-13-25(21)22/h2-19H,1H3/b19-16+,27-26-
InChIKeyDNRPDCOYWLTFBG-ZCXLWEBDSA-N
MW411.53 g/mol
LogP6.04
Rot. Bonds5

About (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide

(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide (PubChem CID 139236527) has the molecular formula C26H21NO2S and a molecular weight of 411.53 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide
PubChem CID139236527
Molecular FormulaC26H21NO2S
Molecular Weight411.53 g/mol
Exact Mass411.13
IUPAC Name(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/C=C/c2cccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C26H21NO2S/c1-20-14-17-24(18-15-20)30(28,29)27-26(23-9-3-2-4-10-23)19-16-22-12-7-11-21-8-5-6-13-25(21)22/h2-19H,1H3/b19-16+,27-26-
InChIKeyDNRPDCOYWLTFBG-ZCXLWEBDSA-N
XLogP6.04
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide (CID 139236527) is (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(/C=C/c2cccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide?
The InChIKey is DNRPDCOYWLTFBG-ZCXLWEBDSA-N. The full InChI is InChI=1S/C26H21NO2S/c1-20-14-17-24(18-15-20)30(28,29)27-26(23-9-3-2-4-10-23)19-16-22-12-7-11-21-8-5-6-13-25(21)22/h2-19H,1H3/b19-16+,27-26-.
What are the key properties of (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide?
(NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide has a molecular weight of 411.53 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[(E)-3-naphthalen-1-yl-1-phenylprop-2-enylidene]benzenesulfonamide is sourced from PubChem (CID 139236527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).