[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate

C22H19ClF2N2O4S — CID 23114620

IUPAC[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1Cc1cc(F)ccc1F
InChIInChI=1S/C22H19ClF2N2O4S/c1-27(2)22(28)31-13-14-3-10-21(32(29,30)18-7-4-16(23)5-8-18)26-20(14)12-15-11-17(24)6-9-19(15)25/h3-11H,12-13H2,1-2H3
InChIKeyALZXIBDFOUGJAB-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.64
Rot. Bonds6

About [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate

[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate (PubChem CID 23114620) has the molecular formula C22H19ClF2N2O4S and a molecular weight of 480.92 g/mol. Its IUPAC name is [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate
PubChem CID23114620
Molecular FormulaC22H19ClF2N2O4S
Molecular Weight480.92 g/mol
Exact Mass480.07
IUPAC Name[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1Cc1cc(F)ccc1F
InChIInChI=1S/C22H19ClF2N2O4S/c1-27(2)22(28)31-13-14-3-10-21(32(29,30)18-7-4-16(23)5-8-18)26-20(14)12-15-11-17(24)6-9-19(15)25/h3-11H,12-13H2,1-2H3
InChIKeyALZXIBDFOUGJAB-UHFFFAOYSA-N
XLogP4.64
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
The IUPAC name of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate (CID 23114620) is [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1Cc1cc(F)ccc1F.
What is the InChIKey of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
The InChIKey is ALZXIBDFOUGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O4S/c1-27(2)22(28)31-13-14-3-10-21(32(29,30)18-7-4-16(23)5-8-18)26-20(14)12-15-11-17(24)6-9-19(15)25/h3-11H,12-13H2,1-2H3.
What are the key properties of [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate has a molecular weight of 480.92 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 23114620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).