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

C24H28F3N3O6S2 — CID 25185178

IUPAC5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CN1CCOCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N3O6S2/c25-24(26,27)21-7-6-20(37(32,33)19-4-2-1-3-5-19)16-22(21)38(34,35)28-18-8-10-30(11-9-18)23(31)17-29-12-14-36-15-13-29/h1-7,16,18,28H,8-15,17H2
InChIKeyDZZDRRLIAVIQQC-UHFFFAOYSA-N
MW575.63 g/mol
LogP2.14
Rot. Bonds7

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

5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 25185178) has the molecular formula C24H28F3N3O6S2 and a molecular weight of 575.63 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID25185178
Molecular FormulaC24H28F3N3O6S2
Molecular Weight575.63 g/mol
Exact Mass575.14
IUPAC Name5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CN1CCOCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N3O6S2/c25-24(26,27)21-7-6-20(37(32,33)19-4-2-1-3-5-19)16-22(21)38(34,35)28-18-8-10-30(11-9-18)23(31)17-29-12-14-36-15-13-29/h1-7,16,18,28H,8-15,17H2
InChIKeyDZZDRRLIAVIQQC-UHFFFAOYSA-N
XLogP2.14
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.63
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(N-Methylglycyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)-benzenesulfonamide
CID 25185176
N-[1-(N,N-Dimethylglycyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoro-methyl)benzenesulfonamide
CID 25185177
5-(Phenylsulfonyl)-N-(1-L-prolylpiperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25185448
5-(Phenylsulfonyl)-N-(1-D-prolylpiperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25185450
N-[1-(1-Acetyl-L-prolyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25185451
N-{1-[1-(2,2-Dimethylpropanoyl)-L-prolyl]piperidin-4-yl}-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25185452
N-[1-(N,N-Dimethylglycyl-L-prolyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25185742
N-{1-[1-(Morpholin-4-ylcarbonyl)-L-prolyl]piperidin-4-yl}-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25186014
N-{1-[1-(3,3-Dimethylbutyl)-L-prolyl]piperidin-4-yl}-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25186015
N-{1-[1-(Cyclohexylmethyl)-L-prolyl]piperidin-4-yl}-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25186016
5-(Phenylsulfonyl)-N-[1-(pyrrolidin-1-ylacetyl)piperidin-4-yl]-2-(trifluoro-methyl)benzenesulfonamide
CID 25186291
5-(Phenylsulfonyl)-N-[1-(piperazin-1-ylacetyl)piperidin-4-yl]-2-(trifluoro-methyl)benzenesulfonamide
CID 25186293

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 25185178) is 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is O=C(CN1CCOCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DZZDRRLIAVIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O6S2/c25-24(26,27)21-7-6-20(37(32,33)19-4-2-1-3-5-19)16-22(21)38(34,35)28-18-8-10-30(11-9-18)23(31)17-29-12-14-36-15-13-29/h1-7,16,18,28H,8-15,17H2.
What are the key properties of 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide?
5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 575.63 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 25185178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).