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

C19H23FN2O2S — CID 143369490

IUPAC1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccccc1-c1ccc(S(=O)(=O)N2CCC(N(C)C)C2)c(F)c1
InChIInChI=1S/C19H23FN2O2S/c1-14-6-4-5-7-17(14)15-8-9-19(18(20)12-15)25(23,24)22-11-10-16(13-22)21(2)3/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyLCNVYJWOWGJOCP-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.13
Rot. Bonds4

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

1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine (PubChem CID 143369490) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
PubChem CID143369490
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
SMILESCc1ccccc1-c1ccc(S(=O)(=O)N2CCC(N(C)C)C2)c(F)c1
InChIInChI=1S/C19H23FN2O2S/c1-14-6-4-5-7-17(14)15-8-9-19(18(20)12-15)25(23,24)22-11-10-16(13-22)21(2)3/h4-9,12,16H,10-11,13H2,1-3H3
InChIKeyLCNVYJWOWGJOCP-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine (CID 143369490) is 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine is Cc1ccccc1-c1ccc(S(=O)(=O)N2CCC(N(C)C)C2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LCNVYJWOWGJOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14-6-4-5-7-17(14)15-8-9-19(18(20)12-15)25(23,24)22-11-10-16(13-22)21(2)3/h4-9,12,16H,10-11,13H2,1-3H3.
What are the key properties of 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine?
1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 362.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-methylphenyl)phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 143369490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).