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

C15H13N3O3S2 — CID 45266981

IUPAC3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C15H13N3O3S2/c16-23(20,21)13-3-1-2-11(8-13)17-15-18-14(9-22-15)10-4-6-12(19)7-5-10/h1-9,19H,(H,17,18)(H2,16,20,21)
InChIKeyCXDPVAPWGAAGPP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.91
Rot. Bonds4

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

3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 45266981) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID45266981
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C15H13N3O3S2/c16-23(20,21)13-3-1-2-11(8-13)17-15-18-14(9-22-15)10-4-6-12(19)7-5-10/h1-9,19H,(H,17,18)(H2,16,20,21)
InChIKeyCXDPVAPWGAAGPP-UHFFFAOYSA-N
XLogP2.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 45266981) is 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nc(-c3ccc(O)cc3)cs2)c1.
What is the InChIKey of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is CXDPVAPWGAAGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c16-23(20,21)13-3-1-2-11(8-13)17-15-18-14(9-22-15)10-4-6-12(19)7-5-10/h1-9,19H,(H,17,18)(H2,16,20,21).
What are the key properties of 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 45266981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).