N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide

C23H21F3N2O3S — CID 159100195

IUPACN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2C(F)(F)F)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C23H21F3N2O3S/c24-23(25,26)20-11-14(28-32(30,31)16-7-8-16)6-9-17(20)19-10-15(12-22(29)13-4-5-13)27-21-3-1-2-18(19)21/h1-2,6,9-11,13,16,28H,3-5,7-8,12H2
InChIKeyKDEJLKYMPJIHHN-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.76
Rot. Bonds7

About N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide

N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide (PubChem CID 159100195) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide
PubChem CID159100195
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC NameN-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide
SMILESO=C(Cc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2C(F)(F)F)c2c(n1)CC=C2)C1CC1
InChIInChI=1S/C23H21F3N2O3S/c24-23(25,26)20-11-14(28-32(30,31)16-7-8-16)6-9-17(20)19-10-15(12-22(29)13-4-5-13)27-21-3-1-2-18(19)21/h1-2,6,9-11,13,16,28H,3-5,7-8,12H2
InChIKeyKDEJLKYMPJIHHN-UHFFFAOYSA-N
XLogP4.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide (CID 159100195) is N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide is O=C(Cc1cc(-c2ccc(NS(=O)(=O)C3CC3)cc2C(F)(F)F)c2c(n1)CC=C2)C1CC1.
What is the InChIKey of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
The InChIKey is KDEJLKYMPJIHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c24-23(25,26)20-11-14(28-32(30,31)16-7-8-16)6-9-17(20)19-10-15(12-22(29)13-4-5-13)27-21-3-1-2-18(19)21/h1-2,6,9-11,13,16,28H,3-5,7-8,12H2.
What are the key properties of N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide?
N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide has a molecular weight of 462.49 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopropyl-2-oxoethyl)-7H-cyclopenta[b]pyridin-4-yl]-3-(trifluoromethyl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 159100195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).