4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide

C20H25ClF3N3O4S — CID 55519244

IUPAC4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25ClF3N3O4S/c21-17-4-3-15(13-16(17)20(22,23)24)32(30,31)25-8-5-18(28)26-11-6-14(7-12-26)19(29)27-9-1-2-10-27/h3-4,13-14,25H,1-2,5-12H2
InChIKeyXIOJHHIGWXOGIQ-UHFFFAOYSA-N
MW495.95 g/mol
LogP2.89
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 55519244) has the molecular formula C20H25ClF3N3O4S and a molecular weight of 495.95 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID55519244
Molecular FormulaC20H25ClF3N3O4S
Molecular Weight495.95 g/mol
Exact Mass495.12
IUPAC Name4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H25ClF3N3O4S/c21-17-4-3-15(13-16(17)20(22,23)24)32(30,31)25-8-5-18(28)26-11-6-14(7-12-26)19(29)27-9-1-2-10-27/h3-4,13-14,25H,1-2,5-12H2
InChIKeyXIOJHHIGWXOGIQ-UHFFFAOYSA-N
XLogP2.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.95
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 78838120
4-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119402275
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 35811464
N-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide
CID 55408215
N-[3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 56512576
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 55407144
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
3,4-difluoro-N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 56551060
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 55519244) is 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XIOJHHIGWXOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF3N3O4S/c21-17-4-3-15(13-16(17)20(22,23)24)32(30,31)25-8-5-18(28)26-11-6-14(7-12-26)19(29)27-9-1-2-10-27/h3-4,13-14,25H,1-2,5-12H2.
What are the key properties of 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 495.95 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55519244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).