N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

C24H28F3N3O3S — CID 71457386

IUPACN-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1cccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H28F3N3O3S/c1-28(2)21-7-3-5-17(15-21)23(31)29-13-11-20(12-14-29)30(19-9-10-19)34(32,33)22-8-4-6-18(16-22)24(25,26)27/h3-8,15-16,19-20H,9-14H2,1-2H3
InChIKeyGYBZUPQPAFWYHB-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.23
Rot. Bonds6

About N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71457386) has the molecular formula C24H28F3N3O3S and a molecular weight of 495.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71457386
Molecular FormulaC24H28F3N3O3S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC NameN-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1cccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C24H28F3N3O3S/c1-28(2)21-7-3-5-17(15-21)23(31)29-13-11-20(12-14-29)30(19-9-10-19)34(32,33)22-8-4-6-18(16-22)24(25,26)27/h3-8,15-16,19-20H,9-14H2,1-2H3
InChIKeyGYBZUPQPAFWYHB-UHFFFAOYSA-N
XLogP4.23
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 71457386) is N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is CN(C)c1cccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GYBZUPQPAFWYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3S/c1-28(2)21-7-3-5-17(15-21)23(31)29-13-11-20(12-14-29)30(19-9-10-19)34(32,33)22-8-4-6-18(16-22)24(25,26)27/h3-8,15-16,19-20H,9-14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 495.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71457386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).