4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

C20H23FN2O3S — CID 110312103

IUPAC4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H23FN2O3S/c21-17-11-9-16(10-12-17)5-3-8-20(24)22-18-6-4-7-19(15-18)27(25,26)23-13-1-2-14-23/h4,6-7,9-12,15H,1-3,5,8,13-14H2,(H,22,24)
InChIKeyFBTCXTRRSYKUAW-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.57
Rot. Bonds7

About 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide (PubChem CID 110312103) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
PubChem CID110312103
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H23FN2O3S/c21-17-11-9-16(10-12-17)5-3-8-20(24)22-18-6-4-7-19(15-18)27(25,26)23-13-1-2-14-23/h4,6-7,9-12,15H,1-3,5,8,13-14H2,(H,22,24)
InChIKeyFBTCXTRRSYKUAW-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
3-(4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414940
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 60540977
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 30668165
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55530071

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide (CID 110312103) is 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide is O=C(CCCc1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is FBTCXTRRSYKUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-17-11-9-16(10-12-17)5-3-8-20(24)22-18-6-4-7-19(15-18)27(25,26)23-13-1-2-14-23/h4,6-7,9-12,15H,1-3,5,8,13-14H2,(H,22,24).
What are the key properties of 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide?
4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 390.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 110312103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).