N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide

C12H15N3O2S — CID 55142534

IUPACN-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H15N3O2S/c1-14(12-6-4-11(10-13)5-7-12)18(16,17)15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3
InChIKeySAPMPZORVQYNDL-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.34
Rot. Bonds3

About N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide

N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 55142534) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID55142534
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C12H15N3O2S/c1-14(12-6-4-11(10-13)5-7-12)18(16,17)15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3
InChIKeySAPMPZORVQYNDL-UHFFFAOYSA-N
XLogP1.34
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide (CID 55142534) is N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide is CN(c1ccc(C#N)cc1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is SAPMPZORVQYNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-14(12-6-4-11(10-13)5-7-12)18(16,17)15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide?
N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 55142534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).