N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C19H20F2N2O3S — CID 27444998

IUPACN-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O3S/c20-15-6-9-17(21)18(13-15)22-19(24)10-5-14-3-7-16(8-4-14)27(25,26)23-11-1-2-12-23/h3-4,6-9,13H,1-2,5,10-12H2,(H,22,24)
InChIKeyNWZHXBPYSGNXRX-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.32
Rot. Bonds6

About N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 27444998) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID27444998
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C19H20F2N2O3S/c20-15-6-9-17(21)18(13-15)22-19(24)10-5-14-3-7-16(8-4-14)27(25,26)23-11-1-2-12-23/h3-4,6-9,13H,1-2,5,10-12H2,(H,22,24)
InChIKeyNWZHXBPYSGNXRX-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 55442455
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 112763791
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24505995
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27445242
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 27444998) is N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is NWZHXBPYSGNXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c20-15-6-9-17(21)18(13-15)22-19(24)10-5-14-3-7-16(8-4-14)27(25,26)23-11-1-2-12-23/h3-4,6-9,13H,1-2,5,10-12H2,(H,22,24).
What are the key properties of N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 394.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 27444998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).