N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide

C11H14N4O2S — CID 43550792

IUPACN-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide
SMILESN#Cc1cc(N)ccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H14N4O2S/c12-8-9-7-10(13)3-4-11(9)14-18(16,17)15-5-1-2-6-15/h3-4,7,14H,1-2,5-6,13H2
InChIKeyPPKVSITXLXDIGN-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.89
Rot. Bonds3

About N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide

N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide (PubChem CID 43550792) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide
PubChem CID43550792
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide
SMILESN#Cc1cc(N)ccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H14N4O2S/c12-8-9-7-10(13)3-4-11(9)14-18(16,17)15-5-1-2-6-15/h3-4,7,14H,1-2,5-6,13H2
InChIKeyPPKVSITXLXDIGN-UHFFFAOYSA-N
XLogP0.89
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide (CID 43550792) is N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide is N#Cc1cc(N)ccc1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide?
The InChIKey is PPKVSITXLXDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-8-9-7-10(13)3-4-11(9)14-18(16,17)15-5-1-2-6-15/h3-4,7,14H,1-2,5-6,13H2.
What are the key properties of N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide?
N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43550792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).