4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

C16H25N3O4S — CID 1084701

IUPAC4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-13(2)17-24(21,22)15-6-4-14(5-7-15)23-12-16(20)19-10-8-18(3)9-11-19/h4-7,13,17H,8-12H2,1-3H3
InChIKeyBGKGWRYEPMWUPP-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.53
Rot. Bonds6

About 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide

4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (PubChem CID 1084701) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
PubChem CID1084701
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-13(2)17-24(21,22)15-6-4-14(5-7-15)23-12-16(20)19-10-8-18(3)9-11-19/h4-7,13,17H,8-12H2,1-3H3
InChIKeyBGKGWRYEPMWUPP-UHFFFAOYSA-N
XLogP0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide (CID 1084701) is 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is BGKGWRYEPMWUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13(2)17-24(21,22)15-6-4-14(5-7-15)23-12-16(20)19-10-8-18(3)9-11-19/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide?
4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1084701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).