3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C16H14N2O3S2 — CID 71691339

IUPAC3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C16H14N2O3S2/c19-23(20,18-16-17-9-10-22-16)15-8-4-5-13(11-15)12-21-14-6-2-1-3-7-14/h1-11H,12H2,(H,17,18)
InChIKeyBJSDSCOLEGELBC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.52
Rot. Bonds6

About 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71691339) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71691339
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC Name3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C16H14N2O3S2/c19-23(20,18-16-17-9-10-22-16)15-8-4-5-13(11-15)12-21-14-6-2-1-3-7-14/h1-11H,12H2,(H,17,18)
InChIKeyBJSDSCOLEGELBC-UHFFFAOYSA-N
XLogP3.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71689341
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
4-[(4-phenoxyphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43908583
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
1-benzyl-4,5-dibromo-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrole-2-carboxamide
CID 177371092
1-(4-phenoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25046100
4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71691339) is 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cccc(COc2ccccc2)c1.
What is the InChIKey of 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is BJSDSCOLEGELBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c19-23(20,18-16-17-9-10-22-16)15-8-4-5-13(11-15)12-21-14-6-2-1-3-7-14/h1-11H,12H2,(H,17,18).
What are the key properties of 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 346.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71691339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).