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

C22H29N3O2S — CID 67071474

IUPAC4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(N4CCC4)cc3)cc2)C1
InChIInChI=1S/C22H29N3O2S/c1-2-13-24-16-12-19(17-24)18-4-6-20(7-5-18)23-28(26,27)22-10-8-21(9-11-22)25-14-3-15-25/h4-11,19,23H,2-3,12-17H2,1H3
InChIKeyCUICNHAYFGQOFP-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.90
Rot. Bonds7

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

4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (PubChem CID 67071474) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
PubChem CID67071474
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(N4CCC4)cc3)cc2)C1
InChIInChI=1S/C22H29N3O2S/c1-2-13-24-16-12-19(17-24)18-4-6-20(7-5-18)23-28(26,27)22-10-8-21(9-11-22)25-14-3-15-25/h4-11,19,23H,2-3,12-17H2,1H3
InChIKeyCUICNHAYFGQOFP-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071295
4-cyano-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071541
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
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
4-bromo-2,5-difluoro-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 67071258
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
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide;hydrochloride
CID 68949994
4-propan-2-yl-N-[4-(1-prop-2-enylpyrrolidin-3-yl)phenyl]benzenesulfonamide;hydrochloride
CID 67071389

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (CID 67071474) is 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is CCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(N4CCC4)cc3)cc2)C1.
What is the InChIKey of 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is CUICNHAYFGQOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-2-13-24-16-12-19(17-24)18-4-6-20(7-5-18)23-28(26,27)22-10-8-21(9-11-22)25-14-3-15-25/h4-11,19,23H,2-3,12-17H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 399.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67071474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).