1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine

C21H24F2N2O5S2 — CID 25243722

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine
SMILESCC1(C)CCc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ccc2O1
InChIInChI=1S/C21H24F2N2O5S2/c1-21(2)9-8-15-14-16(6-7-19(15)30-21)31(26,27)24-10-12-25(13-11-24)32(28,29)20-17(22)4-3-5-18(20)23/h3-7,14H,8-13H2,1-2H3
InChIKeyVQVCAICCJKFKMW-UHFFFAOYSA-N
MW486.56 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine

1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine (PubChem CID 25243722) has the molecular formula C21H24F2N2O5S2 and a molecular weight of 486.56 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine
PubChem CID25243722
Molecular FormulaC21H24F2N2O5S2
Molecular Weight486.56 g/mol
Exact Mass486.11
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine
SMILESCC1(C)CCc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ccc2O1
InChIInChI=1S/C21H24F2N2O5S2/c1-21(2)9-8-15-14-16(6-7-19(15)30-21)31(26,27)24-10-12-25(13-11-24)32(28,29)20-17(22)4-3-5-18(20)23/h3-7,14H,8-13H2,1-2H3
InChIKeyVQVCAICCJKFKMW-UHFFFAOYSA-N
XLogP2.76
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine (CID 25243722) is 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine is CC1(C)CCc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ccc2O1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine?
The InChIKey is VQVCAICCJKFKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O5S2/c1-21(2)9-8-15-14-16(6-7-19(15)30-21)31(26,27)24-10-12-25(13-11-24)32(28,29)20-17(22)4-3-5-18(20)23/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine?
1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine has a molecular weight of 486.56 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine is sourced from PubChem (CID 25243722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).