N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide

C16H25N3O3S — CID 1070175

IUPACN-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-14(20)19-11-9-18(10-12-19)13-16(2,3)17-23(21,22)15-7-5-4-6-8-15/h4-8,17H,9-13H2,1-3H3
InChIKeyWIVRKELQSOGMBA-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.91
Rot. Bonds5

About N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide

N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 1070175) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID1070175
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-14(20)19-11-9-18(10-12-19)13-16(2,3)17-23(21,22)15-7-5-4-6-8-15/h4-8,17H,9-13H2,1-3H3
InChIKeyWIVRKELQSOGMBA-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide (CID 1070175) is N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide is CC(=O)N1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is WIVRKELQSOGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-14(20)19-11-9-18(10-12-19)13-16(2,3)17-23(21,22)15-7-5-4-6-8-15/h4-8,17H,9-13H2,1-3H3.
What are the key properties of N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide?
N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 1070175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).