N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

C23H24ClF3N2O5S2 — CID 72543966

IUPACN-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C23H24ClF3N2O5S2/c1-35(31,32)18-7-8-21(24)20(14-18)22(30)28-11-9-17(10-12-28)29(16-5-6-16)36(33,34)19-4-2-3-15(13-19)23(25,26)27/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3
InChIKeyROIFYGFLGONWGU-UHFFFAOYSA-N
MW565.04 g/mol
LogP4.22
Rot. Bonds6

About N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 72543966) has the molecular formula C23H24ClF3N2O5S2 and a molecular weight of 565.04 g/mol. Its IUPAC name is N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID72543966
Molecular FormulaC23H24ClF3N2O5S2
Molecular Weight565.04 g/mol
Exact Mass564.08
IUPAC NameN-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C23H24ClF3N2O5S2/c1-35(31,32)18-7-8-21(24)20(14-18)22(30)28-11-9-17(10-12-28)29(16-5-6-16)36(33,34)19-4-2-3-15(13-19)23(25,26)27/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3
InChIKeyROIFYGFLGONWGU-UHFFFAOYSA-N
XLogP4.22
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.04
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-acetylpiperazine-1-carbonyl)-4-chloro-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 4829934
N-cyclopropyl-N-[1-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23641891
N-[1-(2-Chlorobenzoyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 46229727
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)-4-methylpiperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 57580315
N-[1-(4-cyano-2-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 57580339
N-benzyl-4-chloro-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9117697
Benzamide, 2-chloro-5-[(diethylamino)sulfonyl]-N-[1-(phenylmethyl)-4-piperidinyl]-, hydrochloride (1:1)
CID 16238000
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642165
N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642175
N-benzhydryl-2-chloro-5-(4-ethylpiperazino)sulfonyl-N-methyl-benzamide
CID 24979592
N-benzyl-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 25161492
2-chloro-N-cyclopropyl-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide
CID 25161516

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide (CID 72543966) is N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ROIFYGFLGONWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O5S2/c1-35(31,32)18-7-8-21(24)20(14-18)22(30)28-11-9-17(10-12-28)29(16-5-6-16)36(33,34)19-4-2-3-15(13-19)23(25,26)27/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3.
What are the key properties of N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 565.04 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-5-methylsulfonylbenzoyl)piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 72543966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).