4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C16H15N3O3S2 — CID 1079725

IUPAC4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C16H15N3O3S2/c20-15-4-2-1-3-12(15)11-18-13-5-7-14(8-6-13)24(21,22)19-16-17-9-10-23-16/h1-10,18,20H,11H2,(H,17,19)
InChIKeyQZMVRYKARIARSL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.26
Rot. Bonds6

About 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 1079725) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID1079725
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2ccccc2O)cc1
InChIInChI=1S/C16H15N3O3S2/c20-15-4-2-1-3-12(15)11-18-13-5-7-14(8-6-13)24(21,22)19-16-17-9-10-23-16/h1-10,18,20H,11H2,(H,17,19)
InChIKeyQZMVRYKARIARSL-UHFFFAOYSA-N
XLogP3.26
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 1079725) is 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(NCc2ccccc2O)cc1.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QZMVRYKARIARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c20-15-4-2-1-3-12(15)11-18-13-5-7-14(8-6-13)24(21,22)19-16-17-9-10-23-16/h1-10,18,20H,11H2,(H,17,19).
What are the key properties of 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 361.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1079725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).