2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide

C12H19NO3S — CID 81241920

IUPAC2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H19NO3S/c1-4-10(5-2)13(3)17(15,16)12-9-7-6-8-11(12)14/h6-10,14H,4-5H2,1-3H3
InChIKeyQJPQQYDIMZLYBX-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.20
Rot. Bonds5

About 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide

2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide (PubChem CID 81241920) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide
PubChem CID81241920
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)N(C)S(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H19NO3S/c1-4-10(5-2)13(3)17(15,16)12-9-7-6-8-11(12)14/h6-10,14H,4-5H2,1-3H3
InChIKeyQJPQQYDIMZLYBX-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide (CID 81241920) is 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide is CCC(CC)N(C)S(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is QJPQQYDIMZLYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-10(5-2)13(3)17(15,16)12-9-7-6-8-11(12)14/h6-10,14H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide?
2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 81241920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).