2-methoxy-5-(2-oxopropyl)benzenesulfonamide

C10H13NO4S — CID 14179759

IUPAC2-methoxy-5-(2-oxopropyl)benzenesulfonamide
SMILESCOc1ccc(CC(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3,(H2,11,13,14)
InChIKeyMQQJFLHZXQRKKJ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.47
Rot. Bonds4

About 2-methoxy-5-(2-oxopropyl)benzenesulfonamide

2-methoxy-5-(2-oxopropyl)benzenesulfonamide (PubChem CID 14179759) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-methoxy-5-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(2-oxopropyl)benzenesulfonamide
PubChem CID14179759
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-methoxy-5-(2-oxopropyl)benzenesulfonamide
SMILESCOc1ccc(CC(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3,(H2,11,13,14)
InChIKeyMQQJFLHZXQRKKJ-UHFFFAOYSA-N
XLogP0.47
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(2-oxopropyl)benzenesulfonamide (CID 14179759) is 2-methoxy-5-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(2-oxopropyl)benzenesulfonamide is COc1ccc(CC(C)=O)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-(2-oxopropyl)benzenesulfonamide?
The InChIKey is MQQJFLHZXQRKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-methoxy-5-(2-oxopropyl)benzenesulfonamide?
2-methoxy-5-(2-oxopropyl)benzenesulfonamide has a molecular weight of 243.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 14179759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).