(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide

C22H18N2O2S — CID 75363141

IUPAC(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide
SMILESCc1cc2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-17-16-19-12-8-9-15-24(19)22(17)21(18-10-4-2-5-11-18)23-27(25,26)20-13-6-3-7-14-20/h2-16H,1H3/b23-21+
InChIKeyPLNHEQHZBSIGBK-XTQSDGFTSA-N
MW374.47 g/mol
LogP4.47
Rot. Bonds4

About (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide

(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide (PubChem CID 75363141) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide
PubChem CID75363141
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide
SMILESCc1cc2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O2S/c1-17-16-19-12-8-9-15-24(19)22(17)21(18-10-4-2-5-11-18)23-27(25,26)20-13-6-3-7-14-20/h2-16H,1H3/b23-21+
InChIKeyPLNHEQHZBSIGBK-XTQSDGFTSA-N
XLogP4.47
TPSA50.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide (CID 75363141) is (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide is Cc1cc2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide?
The InChIKey is PLNHEQHZBSIGBK-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-17-16-19-12-8-9-15-24(19)22(17)21(18-10-4-2-5-11-18)23-27(25,26)20-13-6-3-7-14-20/h2-16H,1H3/b23-21+.
What are the key properties of (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide?
(NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2-methylindolizin-3-yl)-phenylmethylidene]benzenesulfonamide is sourced from PubChem (CID 75363141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).