N-(3,4-dicyanophenyl)piperazine-1-sulfonamide

C12H13N5O2S — CID 107791270

IUPACN-(3,4-dicyanophenyl)piperazine-1-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)N2CCNCC2)cc1C#N
InChIInChI=1S/C12H13N5O2S/c13-8-10-1-2-12(7-11(10)9-14)16-20(18,19)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6H2
InChIKeyUHOOVQPOFJWFMB-UHFFFAOYSA-N
MW291.34 g/mol
LogP-0.01
Rot. Bonds3

About N-(3,4-dicyanophenyl)piperazine-1-sulfonamide

N-(3,4-dicyanophenyl)piperazine-1-sulfonamide (PubChem CID 107791270) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)piperazine-1-sulfonamide
PubChem CID107791270
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-(3,4-dicyanophenyl)piperazine-1-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)N2CCNCC2)cc1C#N
InChIInChI=1S/C12H13N5O2S/c13-8-10-1-2-12(7-11(10)9-14)16-20(18,19)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6H2
InChIKeyUHOOVQPOFJWFMB-UHFFFAOYSA-N
XLogP-0.01
TPSA109.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3,4-dicyanophenyl)piperazine-1-sulfonamide (CID 107791270) is N-(3,4-dicyanophenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3,4-dicyanophenyl)piperazine-1-sulfonamide is N#Cc1ccc(NS(=O)(=O)N2CCNCC2)cc1C#N.
What is the InChIKey of N-(3,4-dicyanophenyl)piperazine-1-sulfonamide?
The InChIKey is UHOOVQPOFJWFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c13-8-10-1-2-12(7-11(10)9-14)16-20(18,19)17-5-3-15-4-6-17/h1-2,7,15-16H,3-6H2.
What are the key properties of N-(3,4-dicyanophenyl)piperazine-1-sulfonamide?
N-(3,4-dicyanophenyl)piperazine-1-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 107791270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).