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

C11H17NO4S — CID 2904487

IUPAC4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO4S/c1-9(8-15-2)12-17(13,14)11-6-4-10(16-3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyWVRVCSMQNMXXNH-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.01
Rot. Bonds6

About 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide

4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 2904487) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
PubChem CID2904487
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO4S/c1-9(8-15-2)12-17(13,14)11-6-4-10(16-3)5-7-11/h4-7,9,12H,8H2,1-3H3
InChIKeyWVRVCSMQNMXXNH-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 2904487) is 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide is COCC(C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is WVRVCSMQNMXXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-9(8-15-2)12-17(13,14)11-6-4-10(16-3)5-7-11/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?
4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2904487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).