N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide

C12H19N3O3S — CID 61237119

IUPACN-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C12H19N3O3S/c16-12-3-1-11(2-4-12)5-6-14-19(17,18)15-9-7-13-8-10-15/h1-4,13-14,16H,5-10H2
InChIKeyJNKVAYJYOSYLAL-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.33
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide

N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide (PubChem CID 61237119) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide
PubChem CID61237119
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)N1CCNCC1
InChIInChI=1S/C12H19N3O3S/c16-12-3-1-11(2-4-12)5-6-14-19(17,18)15-9-7-13-8-10-15/h1-4,13-14,16H,5-10H2
InChIKeyJNKVAYJYOSYLAL-UHFFFAOYSA-N
XLogP-0.33
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide (CID 61237119) is N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide is O=S(=O)(NCCc1ccc(O)cc1)N1CCNCC1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide?
The InChIKey is JNKVAYJYOSYLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-12-3-1-11(2-4-12)5-6-14-19(17,18)15-9-7-13-8-10-15/h1-4,13-14,16H,5-10H2.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61237119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).