2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide

C19H15ClN2O3S — CID 155518237

IUPAC2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide
SMILESO=S(=O)(N/N=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O3S/c20-17-8-4-5-9-18(17)26(24,25)22-21-19(14-6-2-1-3-7-14)15-10-12-16(23)13-11-15/h1-13,22-23H/b21-19+
InChIKeyYLJOCKNXILGVCG-XUTLUUPISA-N
MW386.86 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide

2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide (PubChem CID 155518237) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide
PubChem CID155518237
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide
SMILESO=S(=O)(N/N=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1Cl
InChIInChI=1S/C19H15ClN2O3S/c20-17-8-4-5-9-18(17)26(24,25)22-21-19(14-6-2-1-3-7-14)15-10-12-16(23)13-11-15/h1-13,22-23H/b21-19+
InChIKeyYLJOCKNXILGVCG-XUTLUUPISA-N
XLogP3.78
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide (CID 155518237) is 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide is O=S(=O)(N/N=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide?
The InChIKey is YLJOCKNXILGVCG-XUTLUUPISA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-17-8-4-5-9-18(17)26(24,25)22-21-19(14-6-2-1-3-7-14)15-10-12-16(23)13-11-15/h1-13,22-23H/b21-19+.
What are the key properties of 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide?
2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide has a molecular weight of 386.86 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]benzenesulfonamide is sourced from PubChem (CID 155518237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).