2-methoxy-4-(2-oxopropyl)benzenesulfonamide

C10H13NO4S — CID 163498161

IUPAC2-methoxy-4-(2-oxopropyl)benzenesulfonamide
SMILESCOc1cc(CC(C)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-10(16(11,13)14)9(6-8)15-2/h3-4,6H,5H2,1-2H3,(H2,11,13,14)
InChIKeyJRXKAHYZJKWRLH-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.47
Rot. Bonds4

About 2-methoxy-4-(2-oxopropyl)benzenesulfonamide

2-methoxy-4-(2-oxopropyl)benzenesulfonamide (PubChem CID 163498161) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-methoxy-4-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(2-oxopropyl)benzenesulfonamide
PubChem CID163498161
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-methoxy-4-(2-oxopropyl)benzenesulfonamide
SMILESCOc1cc(CC(C)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-10(16(11,13)14)9(6-8)15-2/h3-4,6H,5H2,1-2H3,(H2,11,13,14)
InChIKeyJRXKAHYZJKWRLH-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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Related Compounds

1-(4-tert-butyl-3-methoxyphenyl)propan-2-one
CID 58452209
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
CID 13106258
4-(azidomethyl)-2-methoxybenzenesulfonamide
CID 59667698
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
1-(3-methoxy-4-propan-2-ylsulfanylphenyl)propan-2-one
CID 19772543
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
1-[4-(3-bromopropoxy)-3-methoxyphenyl]propan-2-one
CID 57102976
N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-(2-oxopropyl)benzenesulfonamide (CID 163498161) is 2-methoxy-4-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-(2-oxopropyl)benzenesulfonamide is COc1cc(CC(C)=O)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-4-(2-oxopropyl)benzenesulfonamide?
The InChIKey is JRXKAHYZJKWRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-7(12)5-8-3-4-10(16(11,13)14)9(6-8)15-2/h3-4,6H,5H2,1-2H3,(H2,11,13,14).
What are the key properties of 2-methoxy-4-(2-oxopropyl)benzenesulfonamide?
2-methoxy-4-(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-4-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 163498161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).