4-propanoylbenzenesulfonamide

C9H11NO3S — CID 70209431

IUPAC4-propanoylbenzenesulfonamide
SMILESCCC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-2-9(11)7-3-5-8(6-4-7)14(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyUGEHJRDRKZUJJS-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.93
Rot. Bonds3

About 4-propanoylbenzenesulfonamide

4-propanoylbenzenesulfonamide (PubChem CID 70209431) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-propanoylbenzenesulfonamide.

Molecular Properties

Compound Name4-propanoylbenzenesulfonamide
PubChem CID70209431
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name4-propanoylbenzenesulfonamide
SMILESCCC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-2-9(11)7-3-5-8(6-4-7)14(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKeyUGEHJRDRKZUJJS-UHFFFAOYSA-N
XLogP0.93
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propanoylbenzenesulfonic acid
CID 151190628
4-(2-cyanoacetyl)benzenesulfonamide
CID 91621751
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
N-ethyl-4-sulfamoylbenzamide
CID 10242881
ethyl 2-(4-propanoylphenyl)sulfonylacetate
CID 82164552
1-(4-aminophenyl)propan-1-one
CID 6270
4-sulfamoylbenzoyl iodide
CID 88945846
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
3-(4-propanoylphenyl)sulfonylbutan-2-one
CID 82164567
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
potassium 4-sulfamoylbenzoate
CID 23684074

Frequently Asked Questions

What is the IUPAC name of 4-propanoylbenzenesulfonamide?
The IUPAC name of 4-propanoylbenzenesulfonamide (CID 70209431) is 4-propanoylbenzenesulfonamide.
What is the SMILES notation for 4-propanoylbenzenesulfonamide?
The canonical SMILES for 4-propanoylbenzenesulfonamide is CCC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-propanoylbenzenesulfonamide?
The InChIKey is UGEHJRDRKZUJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-2-9(11)7-3-5-8(6-4-7)14(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13).
What are the key properties of 4-propanoylbenzenesulfonamide?
4-propanoylbenzenesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoylbenzenesulfonamide is sourced from PubChem (CID 70209431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).