N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide

C13H21NO3S — CID 65112843

IUPACN-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)(C)O)c(C)c1
InChIInChI=1S/C13H21NO3S/c1-9-6-10(2)12(11(3)7-9)18(16,17)14-8-13(4,5)15/h6-7,14-15H,8H2,1-5H3
InChIKeyKRHRVUGMKAHZNW-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.66
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide

N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 65112843) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID65112843
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)(C)O)c(C)c1
InChIInChI=1S/C13H21NO3S/c1-9-6-10(2)12(11(3)7-9)18(16,17)14-8-13(4,5)15/h6-7,14-15H,8H2,1-5H3
InChIKeyKRHRVUGMKAHZNW-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide (CID 65112843) is N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(C)(C)O)c(C)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is KRHRVUGMKAHZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9-6-10(2)12(11(3)7-9)18(16,17)14-8-13(4,5)15/h6-7,14-15H,8H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide?
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 65112843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).