4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C22H19N3O3S2 — CID 23603453

IUPAC4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S2/c26-30(27,21-10-8-20(9-11-21)28-19-6-2-1-3-7-19)24-14-12-18-16-29-22(25-18)17-5-4-13-23-15-17/h1-11,13,15-16,24H,12,14H2
InChIKeyMHCVTFAWWKYFCZ-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.52
Rot. Bonds8

About 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 23603453) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID23603453
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC Name4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S2/c26-30(27,21-10-8-20(9-11-21)28-19-6-2-1-3-7-19)24-14-12-18-16-29-22(25-18)17-5-4-13-23-15-17/h1-11,13,15-16,24H,12,14H2
InChIKeyMHCVTFAWWKYFCZ-UHFFFAOYSA-N
XLogP4.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 23603453) is 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is MHCVTFAWWKYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c26-30(27,21-10-8-20(9-11-21)28-19-6-2-1-3-7-19)24-14-12-18-16-29-22(25-18)17-5-4-13-23-15-17/h1-11,13,15-16,24H,12,14H2.
What are the key properties of 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 437.55 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 23603453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).