4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C14H19N3O2S — CID 63211293

IUPAC4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O2S/c1-16(10-11-17-8-2-3-9-17)20(18,19)14-6-4-13(12-15)5-7-14/h4-7H,2-3,8-11H2,1H3
InChIKeyZHWDIPLKNBBDTF-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.27
Rot. Bonds5

About 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 63211293) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID63211293
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O2S/c1-16(10-11-17-8-2-3-9-17)20(18,19)14-6-4-13(12-15)5-7-14/h4-7H,2-3,8-11H2,1H3
InChIKeyZHWDIPLKNBBDTF-UHFFFAOYSA-N
XLogP1.27
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753644
4-(2-aminoethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63208977
N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753645
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
N-[2-(azepan-1-yl)-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 31700565
4-[2-(azocan-1-yl)ethylsulfonyl]benzonitrile
CID 79497587
6-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209121
3-amino-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207084
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106919384
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
4-cyano-N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylbenzenesulfonamide
CID 20600974
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63288906

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 63211293) is 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CN(CCN1CCCC1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is ZHWDIPLKNBBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-16(10-11-17-8-2-3-9-17)20(18,19)14-6-4-13(12-15)5-7-14/h4-7H,2-3,8-11H2,1H3.
What are the key properties of 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63211293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).