2-butanoyl-6-methoxybenzenesulfonamide

C11H15NO4S — CID 114274389

IUPAC2-butanoyl-6-methoxybenzenesulfonamide
SMILESCCCC(=O)c1cccc(OC)c1S(N)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-3-5-9(13)8-6-4-7-10(16-2)11(8)17(12,14)15/h4,6-7H,3,5H2,1-2H3,(H2,12,14,15)
InChIKeySHEUKYZJBVLZLS-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.33
Rot. Bonds5

About 2-butanoyl-6-methoxybenzenesulfonamide

2-butanoyl-6-methoxybenzenesulfonamide (PubChem CID 114274389) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-butanoyl-6-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-butanoyl-6-methoxybenzenesulfonamide
PubChem CID114274389
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-butanoyl-6-methoxybenzenesulfonamide
SMILESCCCC(=O)c1cccc(OC)c1S(N)(=O)=O
InChIInChI=1S/C11H15NO4S/c1-3-5-9(13)8-6-4-7-10(16-2)11(8)17(12,14)15/h4,6-7H,3,5H2,1-2H3,(H2,12,14,15)
InChIKeySHEUKYZJBVLZLS-UHFFFAOYSA-N
XLogP1.33
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 70867691
CID 70867691
1-(2,3-dimethoxyphenyl)-3-methylsulfonylpropan-1-one
CID 114983891
ethyl 2-chlorosulfonyl-3-methoxybenzoate
CID 18434753
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
3-(2-methoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94688299
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(3-hydroxy-2-pentoxyphenyl)butan-1-one
CID 174801179
2-(2-fluoroethylsulfanyl)-6-methoxybenzenesulfonamide
CID 23448653
(2,6-dimethoxyphenyl) sulfamate
CID 86254316
2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
CID 125434816

Frequently Asked Questions

What is the IUPAC name of 2-butanoyl-6-methoxybenzenesulfonamide?
The IUPAC name of 2-butanoyl-6-methoxybenzenesulfonamide (CID 114274389) is 2-butanoyl-6-methoxybenzenesulfonamide.
What is the SMILES notation for 2-butanoyl-6-methoxybenzenesulfonamide?
The canonical SMILES for 2-butanoyl-6-methoxybenzenesulfonamide is CCCC(=O)c1cccc(OC)c1S(N)(=O)=O.
What is the InChIKey of 2-butanoyl-6-methoxybenzenesulfonamide?
The InChIKey is SHEUKYZJBVLZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-5-9(13)8-6-4-7-10(16-2)11(8)17(12,14)15/h4,6-7H,3,5H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-butanoyl-6-methoxybenzenesulfonamide?
2-butanoyl-6-methoxybenzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyl-6-methoxybenzenesulfonamide is sourced from PubChem (CID 114274389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).