2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol

C12H11NO3S2 — CID 23656577

IUPAC2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
SMILESC=C(C(O)c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO3S2/c1-9(11(14)12-13-7-8-17-12)18(15,16)10-5-3-2-4-6-10/h2-8,11,14H,1H2
InChIKeyGMHGKUHRAWBAMS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.16
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol

2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol (PubChem CID 23656577) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
PubChem CID23656577
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Name2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol
SMILESC=C(C(O)c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11NO3S2/c1-9(11(14)12-13-7-8-17-12)18(15,16)10-5-3-2-4-6-10/h2-8,11,14H,1H2
InChIKeyGMHGKUHRAWBAMS-UHFFFAOYSA-N
XLogP2.16
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The IUPAC name of 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol (CID 23656577) is 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The canonical SMILES for 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol is C=C(C(O)c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
The InChIKey is GMHGKUHRAWBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-9(11(14)12-13-7-8-17-12)18(15,16)10-5-3-2-4-6-10/h2-8,11,14H,1H2.
What are the key properties of 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol?
2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol has a molecular weight of 281.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(1,3-thiazol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 23656577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).