N-phenyl-4-propanoylpiperazine-1-sulfonamide

C13H19N3O3S — CID 168727149

IUPACN-phenyl-4-propanoylpiperazine-1-sulfonamide
SMILESCCC(=O)N1CCN(S(=O)(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-13(17)15-8-10-16(11-9-15)20(18,19)14-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyWUZVNWHJARQYGS-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.90
Rot. Bonds4

About N-phenyl-4-propanoylpiperazine-1-sulfonamide

N-phenyl-4-propanoylpiperazine-1-sulfonamide (PubChem CID 168727149) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-phenyl-4-propanoylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-phenyl-4-propanoylpiperazine-1-sulfonamide
PubChem CID168727149
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-phenyl-4-propanoylpiperazine-1-sulfonamide
SMILESCCC(=O)N1CCN(S(=O)(=O)Nc2ccccc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-13(17)15-8-10-16(11-9-15)20(18,19)14-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyWUZVNWHJARQYGS-UHFFFAOYSA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenylpyrrolidine-1-sulfonamide
CID 45117555
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9221061
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
1-[4-[(2-chlorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796532
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
CID 110819188
1-(3-phenylimidazolidin-1-yl)propan-1-one
CID 102279123
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
2-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 110796557
1-[4-(3-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 138531816

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propanoylpiperazine-1-sulfonamide?
The IUPAC name of N-phenyl-4-propanoylpiperazine-1-sulfonamide (CID 168727149) is N-phenyl-4-propanoylpiperazine-1-sulfonamide.
What is the SMILES notation for N-phenyl-4-propanoylpiperazine-1-sulfonamide?
The canonical SMILES for N-phenyl-4-propanoylpiperazine-1-sulfonamide is CCC(=O)N1CCN(S(=O)(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-propanoylpiperazine-1-sulfonamide?
The InChIKey is WUZVNWHJARQYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-13(17)15-8-10-16(11-9-15)20(18,19)14-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3.
What are the key properties of N-phenyl-4-propanoylpiperazine-1-sulfonamide?
N-phenyl-4-propanoylpiperazine-1-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propanoylpiperazine-1-sulfonamide is sourced from PubChem (CID 168727149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).