N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide

C13H16N2O3S2 — CID 61466424

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(C(C)O)cc2)sc1C
InChIInChI=1S/C13H16N2O3S2/c1-8-10(3)19-13(14-8)15-20(17,18)12-6-4-11(5-7-12)9(2)16/h4-7,9,16H,1-3H3,(H,14,15)
InChIKeyXCAHEOMBKJGUFG-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.61
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 61466424) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID61466424
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(C(C)O)cc2)sc1C
InChIInChI=1S/C13H16N2O3S2/c1-8-10(3)19-13(14-8)15-20(17,18)12-6-4-11(5-7-12)9(2)16/h4-7,9,16H,1-3H3,(H,14,15)
InChIKeyXCAHEOMBKJGUFG-UHFFFAOYSA-N
XLogP2.61
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide (CID 61466424) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(C(C)O)cc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is XCAHEOMBKJGUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-8-10(3)19-13(14-8)15-20(17,18)12-6-4-11(5-7-12)9(2)16/h4-7,9,16H,1-3H3,(H,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61466424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).