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

C19H19F3N2O3S — CID 27444974

IUPAC3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H19F3N2O3S/c20-15-8-9-16(19(22)18(15)21)23-17(25)10-5-13-3-6-14(7-4-13)28(26,27)24-11-1-2-12-24/h3-4,6-9H,1-2,5,10-12H2,(H,23,25)
InChIKeyWTQSFAWMWBBHLW-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.46
Rot. Bonds6

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

3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 27444974) has the molecular formula C19H19F3N2O3S and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID27444974
Molecular FormulaC19H19F3N2O3S
Molecular Weight412.43 g/mol
Exact Mass412.11
IUPAC Name3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H19F3N2O3S/c20-15-8-9-16(19(22)18(15)21)23-17(25)10-5-13-3-6-14(7-4-13)28(26,27)24-11-1-2-12-24/h3-4,6-9H,1-2,5,10-12H2,(H,23,25)
InChIKeyWTQSFAWMWBBHLW-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24505995
N-(3-chloro-2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26309208
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
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 5215915
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27445242
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 55442455
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 46687839

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide (CID 27444974) is 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is WTQSFAWMWBBHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3S/c20-15-8-9-16(19(22)18(15)21)23-17(25)10-5-13-3-6-14(7-4-13)28(26,27)24-11-1-2-12-24/h3-4,6-9H,1-2,5,10-12H2,(H,23,25).
What are the key properties of 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide?
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 412.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 27444974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).