5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide

C26H22F6N2O5S2 — CID 46229336

IUPAC5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C26H22F6N2O5S2/c27-25(28,29)18-8-6-17(7-9-18)24(35)34-14-12-19(13-15-34)33-41(38,39)23-16-21(10-11-22(23)26(30,31)32)40(36,37)20-4-2-1-3-5-20/h1-11,16,19,33H,12-15H2
InChIKeySDSTZLISEIZBEK-UHFFFAOYSA-N
MW620.59 g/mol
LogP5.14
Rot. Bonds6

About 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide

5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 46229336) has the molecular formula C26H22F6N2O5S2 and a molecular weight of 620.59 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID46229336
Molecular FormulaC26H22F6N2O5S2
Molecular Weight620.59 g/mol
Exact Mass620.09
IUPAC Name5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C26H22F6N2O5S2/c27-25(28,29)18-8-6-17(7-9-18)24(35)34-14-12-19(13-15-34)33-41(38,39)23-16-21(10-11-22(23)26(30,31)32)40(36,37)20-4-2-1-3-5-20/h1-11,16,19,33H,12-15H2
InChIKeySDSTZLISEIZBEK-UHFFFAOYSA-N
XLogP5.14
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.59
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide (CID 46229336) is 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1.
What is the InChIKey of 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is SDSTZLISEIZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N2O5S2/c27-25(28,29)18-8-6-17(7-9-18)24(35)34-14-12-19(13-15-34)33-41(38,39)23-16-21(10-11-22(23)26(30,31)32)40(36,37)20-4-2-1-3-5-20/h1-11,16,19,33H,12-15H2.
What are the key properties of 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide?
5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 620.59 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-(trifluoromethyl)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46229336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).