4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide

C12H19N3O3S — CID 57339812

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C12H19N3O3S/c13-19(17,18)12-3-1-11(2-4-12)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2,(H2,13,17,18)
InChIKeyRTWAZOAUCCQCQN-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.55
Rot. Bonds4

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide

4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 57339812) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide
PubChem CID57339812
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1
InChIInChI=1S/C12H19N3O3S/c13-19(17,18)12-3-1-11(2-4-12)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2,(H2,13,17,18)
InChIKeyRTWAZOAUCCQCQN-UHFFFAOYSA-N
XLogP-0.55
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide (CID 57339812) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is RTWAZOAUCCQCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-19(17,18)12-3-1-11(2-4-12)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2,(H2,13,17,18).
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 57339812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).