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

C16H15N3O3S2 — CID 70701370

IUPAC4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C16H15N3O3S2/c20-14-3-1-2-12(10-14)11-18-13-4-6-15(7-5-13)24(21,22)19-16-17-8-9-23-16/h1-10,18,20H,11H2,(H,17,19)
InChIKeyMKLUZTVYROECKF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.26
Rot. Bonds6

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

4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 70701370) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID70701370
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(O)c2)cc1
InChIInChI=1S/C16H15N3O3S2/c20-14-3-1-2-12(10-14)11-18-13-4-6-15(7-5-13)24(21,22)19-16-17-8-9-23-16/h1-10,18,20H,11H2,(H,17,19)
InChIKeyMKLUZTVYROECKF-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 70701370) is 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc(O)c2)cc1.
What is the InChIKey of 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MKLUZTVYROECKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c20-14-3-1-2-12(10-14)11-18-13-4-6-15(7-5-13)24(21,22)19-16-17-8-9-23-16/h1-10,18,20H,11H2,(H,17,19).
What are the key properties of 4-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3-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-[(3-hydroxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70701370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).