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

C20H24F2N2O3S — CID 68954670

IUPAC3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
SMILESCCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(OC(F)F)c3)cc2)C1
InChIInChI=1S/C20H24F2N2O3S/c1-2-11-24-12-10-16(14-24)15-6-8-17(9-7-15)23-28(25,26)19-5-3-4-18(13-19)27-20(21)22/h3-9,13,16,20,23H,2,10-12,14H2,1H3/t16-/m1/s1
InChIKeyVBSSTWOYNVPCGM-MRXNPFEDSA-N
MW410.49 g/mol
LogP4.29
Rot. Bonds8

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

3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide (PubChem CID 68954670) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
PubChem CID68954670
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
SMILESCCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(OC(F)F)c3)cc2)C1
InChIInChI=1S/C20H24F2N2O3S/c1-2-11-24-12-10-16(14-24)15-6-8-17(9-7-15)23-28(25,26)19-5-3-4-18(13-19)27-20(21)22/h3-9,13,16,20,23H,2,10-12,14H2,1H3/t16-/m1/s1
InChIKeyVBSSTWOYNVPCGM-MRXNPFEDSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azetidin-3-yl)phenyl]-3-(difluoromethoxy)benzenesulfonamide
CID 68950178
4-butan-2-yl-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 16752628
3-bromo-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68950568
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
3-fluoro-4-prop-1-en-2-yl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]benzenesulfonamide
CID 67071267
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-[(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
4-bromo-2,5-difluoro-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide
CID 67071258
3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
CID 24877807

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide (CID 68954670) is 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide is CCCN1CC[C@@H](c2ccc(NS(=O)(=O)c3cccc(OC(F)F)c3)cc2)C1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is VBSSTWOYNVPCGM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-2-11-24-12-10-16(14-24)15-6-8-17(9-7-15)23-28(25,26)19-5-3-4-18(13-19)27-20(21)22/h3-9,13,16,20,23H,2,10-12,14H2,1H3/t16-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide?
3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 410.49 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-[(3S)-1-propylpyrrolidin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 68954670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).