N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

C18H29N3O4S — CID 3156694

IUPACN-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-4-15(3)19-26(23,24)17-8-6-16(7-9-17)25-14-18(22)21-12-10-20(5-2)11-13-21/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyIJJQUXBRRGOOLW-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.31
Rot. Bonds8

About N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (PubChem CID 3156694) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
PubChem CID3156694
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC)CC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-4-15(3)19-26(23,24)17-8-6-16(7-9-17)25-14-18(22)21-12-10-20(5-2)11-13-21/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyIJJQUXBRRGOOLW-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (CID 3156694) is N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The InChIKey is IJJQUXBRRGOOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-15(3)19-26(23,24)17-8-6-16(7-9-17)25-14-18(22)21-12-10-20(5-2)11-13-21/h6-9,15,19H,4-5,10-14H2,1-3H3.
What are the key properties of N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 3156694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).