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

C22H19ClF2N2O4S — CID 59750929

IUPAC[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H19ClF2N2O4S/c1-27(2)22(28)31-13-14-3-10-20(26-12-14)21(18-11-16(24)6-9-19(18)25)32(29,30)17-7-4-15(23)5-8-17/h3-12,21H,13H2,1-2H3
InChIKeyQQFYNQGDMCEGPF-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.77
Rot. Bonds6

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

[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate (PubChem CID 59750929) has the molecular formula C22H19ClF2N2O4S and a molecular weight of 480.92 g/mol. Its IUPAC name is [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate
PubChem CID59750929
Molecular FormulaC22H19ClF2N2O4S
Molecular Weight480.92 g/mol
Exact Mass480.07
IUPAC Name[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H19ClF2N2O4S/c1-27(2)22(28)31-13-14-3-10-20(26-12-14)21(18-11-16(24)6-9-19(18)25)32(29,30)17-7-4-15(23)5-8-17/h3-12,21H,13H2,1-2H3
InChIKeyQQFYNQGDMCEGPF-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-chloro-5-(methoxymethyl)pyridin-2-yl]-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 57770539
(2R,3S)-3-[(4-Chlorophenyl)sulfonyl]-3-(2,5-difluorophenyl)-2-methylpropyl 4-(4-pyridinyl)-1-piperazinecarboxylate
CID 10175340
2-[(4-Chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]-5-(hydroxymethyl)pyridine
CID 23028588
[6-(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methylpyridin-3-yl]methyl Benzylcarbamate
CID 23114545
tert-butyl N-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methoxycarbonyl]carbamate
CID 23114587
[6-(4-Chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl methyl carbonate
CID 23114594
[6-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate
CID 23114620
2-[(4-Chlorophenylthio)-(2,5-difluorophenyl)methyl]-5-(1,3-dioxolan-2-yl)pyridine
CID 23114625
Methyl 3-[4-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]-5-fluoropyridin-2-yl]propionate
CID 23114628
methyl (E)-3-[6-[(4-chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-3-yl]acrylate
CID 23114645
Methyl 3-[6-[(4-chlorophenylsulfonyl)-(2,5-difluorophenyl)methyl]pyridin-3-yl]propionate
CID 23114666
[4-[(4-Chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methyl-2-pyridinyl]methanol
CID 23114673

Frequently Asked Questions

What is the IUPAC name of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
The IUPAC name of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate (CID 59750929) is [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
The InChIKey is QQFYNQGDMCEGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O4S/c1-27(2)22(28)31-13-14-3-10-20(26-12-14)21(18-11-16(24)6-9-19(18)25)32(29,30)17-7-4-15(23)5-8-17/h3-12,21H,13H2,1-2H3.
What are the key properties of [6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate?
[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate has a molecular weight of 480.92 g/mol, XLogP of 4.77, 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-(2,5-difluorophenyl)methyl]-3-pyridinyl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 59750929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).