3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide

C14H18N2O2S2 — CID 110717616

IUPAC3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1cncs1
InChIInChI=1S/C14H18N2O2S2/c17-20(18,16-9-8-14-11-15-12-19-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,16H,4,7-10H2
InChIKeyHQXSWGRSEMQDQO-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.24
Rot. Bonds8

About 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide

3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide (PubChem CID 110717616) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
PubChem CID110717616
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1cncs1
InChIInChI=1S/C14H18N2O2S2/c17-20(18,16-9-8-14-11-15-12-19-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,16H,4,7-10H2
InChIKeyHQXSWGRSEMQDQO-UHFFFAOYSA-N
XLogP2.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide (CID 110717616) is 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCCc1cncs1.
What is the InChIKey of 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide?
The InChIKey is HQXSWGRSEMQDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c17-20(18,16-9-8-14-11-15-12-19-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12,16H,4,7-10H2.
What are the key properties of 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide?
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110717616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).