4-(3-phenoxypropanoyl)piperazine-1-sulfonamide

C13H19N3O4S — CID 61129937

IUPAC4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)16-9-7-15(8-10-16)13(17)6-11-20-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,18,19)
InChIKeyRWHSCRSPYMNOGM-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.20
Rot. Bonds5

About 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide

4-(3-phenoxypropanoyl)piperazine-1-sulfonamide (PubChem CID 61129937) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
PubChem CID61129937
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C13H19N3O4S/c14-21(18,19)16-9-7-15(8-10-16)13(17)6-11-20-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,18,19)
InChIKeyRWHSCRSPYMNOGM-UHFFFAOYSA-N
XLogP-0.20
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-1-one
CID 108569435
3-phenoxy-1-(4-propylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 110798776
1-(4-benzylsulfonylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 9298890
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-4-phenoxybutan-1-one
CID 110810028
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
CID 4741575
3-phenoxy-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108534866
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide (CID 61129937) is 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide?
The InChIKey is RWHSCRSPYMNOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-21(18,19)16-9-7-15(8-10-16)13(17)6-11-20-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,14,18,19).
What are the key properties of 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide?
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxypropanoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61129937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).