4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide

C20H23N3O2S — CID 67071541

IUPAC4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1
InChIInChI=1S/C20H23N3O2S/c1-2-12-23-13-11-18(15-23)17-5-7-19(8-6-17)22-26(24,25)20-9-3-16(14-21)4-10-20/h3-10,18,22H,2,11-13,15H2,1H3
InChIKeyQVVAAWILEXHMGD-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.56
Rot. Bonds6

About 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide

4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (PubChem CID 67071541) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
PubChem CID67071541
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1
InChIInChI=1S/C20H23N3O2S/c1-2-12-23-13-11-18(15-23)17-5-7-19(8-6-17)22-26(24,25)20-9-3-16(14-21)4-10-20/h3-10,18,22H,2,11-13,15H2,1H3
InChIKeyQVVAAWILEXHMGD-UHFFFAOYSA-N
XLogP3.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071474
4-ethenyl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071463
4-butan-2-yl-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 16752628
4-[(dimethylamino)methyl]-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071234
4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071295
3-fluoro-4-prop-1-en-2-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071267
3-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68950568
3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 68954670
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 68949995
4-bromo-2,5-difluoro-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 67071258
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride
CID 68949994
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (CID 67071541) is 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is CCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)C1.
What is the InChIKey of 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is QVVAAWILEXHMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-12-23-13-11-18(15-23)17-5-7-19(8-6-17)22-26(24,25)20-9-3-16(14-21)4-10-20/h3-10,18,22H,2,11-13,15H2,1H3.
What are the key properties of 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67071541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).