2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide

C21H19ClF3N5O2S — CID 66733371

IUPAC2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C21H19ClF3N5O2S/c1-12(21(23,24)25)29-33(31,32)15-10-27-20(28-11-15)19-17(9-26)16-8-13(22)6-7-18(16)30(19)14-4-2-3-5-14/h6-8,10-12,14,29H,2-5H2,1H3/t12-/m0/s1
InChIKeyXIJSSYJYJJPBPN-LBPRGKRZSA-N
MW497.93 g/mol
LogP4.97
Rot. Bonds5

About 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide

2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (PubChem CID 66733371) has the molecular formula C21H19ClF3N5O2S and a molecular weight of 497.93 g/mol. Its IUPAC name is 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
PubChem CID66733371
Molecular FormulaC21H19ClF3N5O2S
Molecular Weight497.93 g/mol
Exact Mass497.09
IUPAC Name2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C21H19ClF3N5O2S/c1-12(21(23,24)25)29-33(31,32)15-10-27-20(28-11-15)19-17(9-26)16-8-13(22)6-7-18(16)30(19)14-4-2-3-5-14/h6-8,10-12,14,29H,2-5H2,1H3/t12-/m0/s1
InChIKeyXIJSSYJYJJPBPN-LBPRGKRZSA-N
XLogP4.97
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (CID 66733371) is 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is C[C@H](NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCCC2)nc1)C(F)(F)F.
What is the InChIKey of 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The InChIKey is XIJSSYJYJJPBPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H19ClF3N5O2S/c1-12(21(23,24)25)29-33(31,32)15-10-27-20(28-11-15)19-17(9-26)16-8-13(22)6-7-18(16)30(19)14-4-2-3-5-14/h6-8,10-12,14,29H,2-5H2,1H3/t12-/m0/s1.
What are the key properties of 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide has a molecular weight of 497.93 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-cyano-1-cyclopentylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 66733371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).