N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide

C20H18N2O3S — CID 16748552

IUPACN-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2cccc(O)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-15-10-12-19(13-11-15)26(24,25)22-21-20(16-6-3-2-4-7-16)17-8-5-9-18(23)14-17/h2-14,22-23H,1H3/b21-20+
InChIKeyJRLURLXLKXTVLQ-QZQOTICOSA-N
MW366.44 g/mol
LogP3.43
Rot. Bonds5

About N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide

N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 16748552) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
PubChem CID16748552
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2cccc(O)c2)cc1
InChIInChI=1S/C20H18N2O3S/c1-15-10-12-19(13-11-15)26(24,25)22-21-20(16-6-3-2-4-7-16)17-8-5-9-18(23)14-17/h2-14,22-23H,1H3/b21-20+
InChIKeyJRLURLXLKXTVLQ-QZQOTICOSA-N
XLogP3.43
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide (CID 16748552) is N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)c2cccc(O)c2)cc1.
What is the InChIKey of N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is JRLURLXLKXTVLQ-QZQOTICOSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-15-10-12-19(13-11-15)26(24,25)22-21-20(16-6-3-2-4-7-16)17-8-5-9-18(23)14-17/h2-14,22-23H,1H3/b21-20+.
What are the key properties of N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide?
N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3-hydroxyphenyl)-phenylmethylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16748552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).