4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide

C18H22N4O3S — CID 166184387

IUPAC4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(C(=O)CCc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-4-2-16(3-5-17)21-11-13-22(14-12-21)18(23)6-1-15-7-9-20-10-8-15/h2-5,7-10H,1,6,11-14H2,(H2,19,24,25)
InChIKeyZYYMXIDKZIKGBR-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.01
Rot. Bonds5

About 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide

4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 166184387) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
PubChem CID166184387
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(C(=O)CCc3ccncc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-4-2-16(3-5-17)21-11-13-22(14-12-21)18(23)6-1-15-7-9-20-10-8-15/h2-5,7-10H,1,6,11-14H2,(H2,19,24,25)
InChIKeyZYYMXIDKZIKGBR-UHFFFAOYSA-N
XLogP1.01
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
N-methylmethanamine;molecular hydrogen;4-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
CID 157180122
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
1-(4-pyridin-4-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 18456346
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 26199822
1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide (CID 166184387) is 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(C(=O)CCc3ccncc3)CC2)cc1.
What is the InChIKey of 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is ZYYMXIDKZIKGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-26(24,25)17-4-2-16(3-5-17)21-11-13-22(14-12-21)18(23)6-1-15-7-9-20-10-8-15/h2-5,7-10H,1,6,11-14H2,(H2,19,24,25).
What are the key properties of 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-pyridin-4-ylpropanoyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 166184387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).