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

C23H31N3O3S — CID 67071295

IUPAC4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)cc3)cc2)C1
InChIInChI=1S/C23H31N3O3S/c1-2-12-25-13-11-20(18-25)19-3-5-21(6-4-19)24-30(27,28)23-9-7-22(8-10-23)26-14-16-29-17-15-26/h3-10,20,24H,2,11-18H2,1H3
InChIKeyHGVPTRDIMVCBDT-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.52
Rot. Bonds7

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

4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (PubChem CID 67071295) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
PubChem CID67071295
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
SMILESCCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)cc3)cc2)C1
InChIInChI=1S/C23H31N3O3S/c1-2-12-25-13-11-20(18-25)19-3-5-21(6-4-19)24-30(27,28)23-9-7-22(8-10-23)26-14-16-29-17-15-26/h3-10,20,24H,2,11-18H2,1H3
InChIKeyHGVPTRDIMVCBDT-UHFFFAOYSA-N
XLogP3.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-1-yl)-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071474
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
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
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
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
4-bromo-2,5-difluoro-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 67071258

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide (CID 67071295) is 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is CCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)cc3)cc2)C1.
What is the InChIKey of 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is HGVPTRDIMVCBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-2-12-25-13-11-20(18-25)19-3-5-21(6-4-19)24-30(27,28)23-9-7-22(8-10-23)26-14-16-29-17-15-26/h3-10,20,24H,2,11-18H2,1H3.
What are the key properties of 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide?
4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 429.59 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67071295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).