N-(1-methoxypropan-2-yl)benzenesulfonamide

C10H15NO3S — CID 2905384

IUPACN-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-9(8-14-2)11-15(12,13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRRBREGBNVNTYBQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.00
Rot. Bonds5

About N-(1-methoxypropan-2-yl)benzenesulfonamide

N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 2905384) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID2905384
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-9(8-14-2)11-15(12,13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyRRBREGBNVNTYBQ-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 2905384) is N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is RRBREGBNVNTYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-9(8-14-2)11-15(12,13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)benzenesulfonamide?
N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2905384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).