3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C13H16N2O3S2 — CID 75537839

IUPAC3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)OCc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-10(2)18-9-11-4-3-5-12(8-11)20(16,17)15-13-14-6-7-19-13/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyZHOPJLZMRJPJTA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.87
Rot. Bonds6

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

3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 75537839) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID75537839
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)OCc1cccc(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C13H16N2O3S2/c1-10(2)18-9-11-4-3-5-12(8-11)20(16,17)15-13-14-6-7-19-13/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeyZHOPJLZMRJPJTA-UHFFFAOYSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71689341
3-(phenoxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71691339
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691365
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120502083
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502082
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120594010

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 75537839) is 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)OCc1cccc(S(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZHOPJLZMRJPJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10(2)18-9-11-4-3-5-12(8-11)20(16,17)15-13-14-6-7-19-13/h3-8,10H,9H2,1-2H3,(H,14,15).
What are the key properties of 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 75537839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).