N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C15H18N2O3S2 — CID 42928898

IUPACN-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CCCCO1)c1nccs1
InChIInChI=1S/C15H18N2O3S2/c18-22(19,14-7-2-1-3-8-14)17(15-16-9-11-21-15)12-13-6-4-5-10-20-13/h1-3,7-9,11,13H,4-6,10,12H2
InChIKeyGAOGGHZWBAEBRD-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.91
Rot. Bonds5

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

N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 42928898) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID42928898
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CC1CCCCO1)c1nccs1
InChIInChI=1S/C15H18N2O3S2/c18-22(19,14-7-2-1-3-8-14)17(15-16-9-11-21-15)12-13-6-4-5-10-20-13/h1-3,7-9,11,13H,4-6,10,12H2
InChIKeyGAOGGHZWBAEBRD-UHFFFAOYSA-N
XLogP2.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 42928898) is N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CC1CCCCO1)c1nccs1.
What is the InChIKey of N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GAOGGHZWBAEBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c18-22(19,14-7-2-1-3-8-14)17(15-16-9-11-21-15)12-13-6-4-5-10-20-13/h1-3,7-9,11,13H,4-6,10,12H2.
What are the key properties of N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 42928898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).