N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide

C12H17N3O2S — CID 63178909

IUPACN'-(3-sulfamoylphenyl)cyclopentanecarboximidamide
SMILESN/C(=N\c1cccc(S(N)(=O)=O)c1)C1CCCC1
InChIInChI=1S/C12H17N3O2S/c13-12(9-4-1-2-5-9)15-10-6-3-7-11(8-10)18(14,16)17/h3,6-9H,1-2,4-5H2,(H2,13,15)(H2,14,16,17)
InChIKeyZWYZXRCJVIUTSG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.51
Rot. Bonds3

About N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide

N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide (PubChem CID 63178909) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(3-sulfamoylphenyl)cyclopentanecarboximidamide
PubChem CID63178909
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN'-(3-sulfamoylphenyl)cyclopentanecarboximidamide
SMILESN/C(=N\c1cccc(S(N)(=O)=O)c1)C1CCCC1
InChIInChI=1S/C12H17N3O2S/c13-12(9-4-1-2-5-9)15-10-6-3-7-11(8-10)18(14,16)17/h3,6-9H,1-2,4-5H2,(H2,13,15)(H2,14,16,17)
InChIKeyZWYZXRCJVIUTSG-UHFFFAOYSA-N
XLogP1.51
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide (CID 63178909) is N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide is N/C(=N\c1cccc(S(N)(=O)=O)c1)C1CCCC1.
What is the InChIKey of N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide?
The InChIKey is ZWYZXRCJVIUTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-12(9-4-1-2-5-9)15-10-6-3-7-11(8-10)18(14,16)17/h3,6-9H,1-2,4-5H2,(H2,13,15)(H2,14,16,17).
What are the key properties of N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide?
N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide has a molecular weight of 267.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63178909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).