4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

C15H21N3O2S — CID 106920662

IUPAC4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H21N3O2S/c1-3-18(11-14-5-4-8-17-14)21(19,20)15-7-6-13(10-16)12(2)9-15/h6-7,9,14,17H,3-5,8,11H2,1-2H3
InChIKeyGVESUIAVYYDVBI-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.63
Rot. Bonds5

About 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (PubChem CID 106920662) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
PubChem CID106920662
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C15H21N3O2S/c1-3-18(11-14-5-4-8-17-14)21(19,20)15-7-6-13(10-16)12(2)9-15/h6-7,9,14,17H,3-5,8,11H2,1-2H3
InChIKeyGVESUIAVYYDVBI-UHFFFAOYSA-N
XLogP1.63
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
3-chloro-4-cyano-N-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607226
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608455
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608499
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608008
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide (CID 106920662) is 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCN1)S(=O)(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
The InChIKey is GVESUIAVYYDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-18(11-14-5-4-8-17-14)21(19,20)15-7-6-13(10-16)12(2)9-15/h6-7,9,14,17H,3-5,8,11H2,1-2H3.
What are the key properties of 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide?
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).