4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H21N3O2S — CID 106608397

IUPAC4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-10-18(12-14-4-3-9-17-14)21(19,20)15-7-5-13(11-16)6-8-15/h5-8,14,17H,2-4,9-10,12H2,1H3
InChIKeyJULYQQFXYYOYPL-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.71
Rot. Bonds6

About 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106608397) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106608397
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2S/c1-2-10-18(12-14-4-3-9-17-14)21(19,20)15-7-5-13(11-16)6-8-15/h5-8,14,17H,2-4,9-10,12H2,1H3
InChIKeyJULYQQFXYYOYPL-UHFFFAOYSA-N
XLogP1.71
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
4-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610003
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
3-bromo-N-(piperidin-2-ylmethyl)-N-propylbenzenesulfonamide
CID 106630601
4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79702963
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106608397) is 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JULYQQFXYYOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-10-18(12-14-4-3-9-17-14)21(19,20)15-7-5-13(11-16)6-8-15/h5-8,14,17H,2-4,9-10,12H2,1H3.
What are the key properties of 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106608397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).