N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C15H20N2O3S2 — CID 124876257

IUPACN-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)[C@@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20N2O3S2/c1-15(2,3)13(18)11-17(14-16-9-10-21-14)22(19,20)12-7-5-4-6-8-12/h4-10,13,18H,11H2,1-3H3/t13-/m0/s1
InChIKeySZKDRBQXLWXOKD-ZDUSSCGKSA-N
MW340.47 g/mol
LogP2.75
Rot. Bonds5

About N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 124876257) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID124876257
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC NameN-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)[C@@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H20N2O3S2/c1-15(2,3)13(18)11-17(14-16-9-10-21-14)22(19,20)12-7-5-4-6-8-12/h4-10,13,18H,11H2,1-3H3/t13-/m0/s1
InChIKeySZKDRBQXLWXOKD-ZDUSSCGKSA-N
XLogP2.75
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 124876257) is N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)(C)[C@@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SZKDRBQXLWXOKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-15(2,3)13(18)11-17(14-16-9-10-21-14)22(19,20)12-7-5-4-6-8-12/h4-10,13,18H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 124876257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).