4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide

C28H28Cl2F3N3O4S — CID 57393496

IUPAC4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C28H28Cl2F3N3O4S/c1-18-15-19(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(18)40-26-10-6-20(29)16-24(26)35-41(38,39)21-7-8-23(30)22(17-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
InChIKeyQFGIJXOCXFOLFD-UHFFFAOYSA-N
MW630.52 g/mol
LogP7.13
Rot. Bonds9

About 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide

4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 57393496) has the molecular formula C28H28Cl2F3N3O4S and a molecular weight of 630.52 g/mol. Its IUPAC name is 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID57393496
Molecular FormulaC28H28Cl2F3N3O4S
Molecular Weight630.52 g/mol
Exact Mass629.11
IUPAC Name4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C28H28Cl2F3N3O4S/c1-18-15-19(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(18)40-26-10-6-20(29)16-24(26)35-41(38,39)21-7-8-23(30)22(17-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)
InChIKeyQFGIJXOCXFOLFD-UHFFFAOYSA-N
XLogP7.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.52
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-chloro-3-[[3-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]oxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 59849958
4-[[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanylmethyl]-N-[2-(1-oxidopyrrolidin-1-ium-1-yl)ethyl]benzamide
CID 71738424
4-[[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylmethyl]benzoic acid
CID 71738628
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302
methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 2108537
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
bis[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-oxophosphanium
CID 88537963
3-[(2,4-dichlorophenyl)carbamoylamino]-4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11533966
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N-methylacetamide
CID 57378760
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N-methylacetamide
CID 57378764
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
4-[[2-(3,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 68529823

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide (CID 57393496) is 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide is Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is QFGIJXOCXFOLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2F3N3O4S/c1-18-15-19(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(18)40-26-10-6-20(29)16-24(26)35-41(38,39)21-7-8-23(30)22(17-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37).
What are the key properties of 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide?
4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 630.52 g/mol, XLogP of 7.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-3-methyl-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 57393496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).