1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine

C18H22FN2O2PS — CID 143369481

IUPAC1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3P)cc2)C1
InChIInChI=1S/C18H22FN2O2PS/c1-20(2)15-9-10-21(12-15)25(22,23)16-6-3-13(4-7-16)17-8-5-14(19)11-18(17)24/h3-8,11,15H,9-10,12,24H2,1-2H3
InChIKeyZPAOFUJUEBTVNT-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.32
Rot. Bonds4

About 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine

1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine (PubChem CID 143369481) has the molecular formula C18H22FN2O2PS and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
PubChem CID143369481
Molecular FormulaC18H22FN2O2PS
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3P)cc2)C1
InChIInChI=1S/C18H22FN2O2PS/c1-20(2)15-9-10-21(12-15)25(22,23)16-6-3-13(4-7-16)17-8-5-14(19)11-18(17)24/h3-8,11,15H,9-10,12,24H2,1-2H3
InChIKeyZPAOFUJUEBTVNT-UHFFFAOYSA-N
XLogP2.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(benzenesulfonyl)-N,N-dimethylpyrrolidin-3-amine
CID 141202657
1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 63222011
4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 63515136
5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63174689
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 143369490
2-[[(3R)-1-[2,6-difluoro-4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]-methylamino]ethanol
CID 143369454
2-bromo-5-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 63164658
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
CID 126583951
4-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 58344134
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine (CID 143369481) is 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3P)cc2)C1.
What is the InChIKey of 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ZPAOFUJUEBTVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN2O2PS/c1-20(2)15-9-10-21(12-15)25(22,23)16-6-3-13(4-7-16)17-8-5-14(19)11-18(17)24/h3-8,11,15H,9-10,12,24H2,1-2H3.
What are the key properties of 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 380.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-2-phosphanylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 143369481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).