4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide

C22H24ClN7O2S — CID 90115098

IUPAC4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide
SMILESCc1nn(C)cc1-c1cc2c(N3CCC(NS(=O)(=O)c4ccc(Cl)cc4)CC3)ncnc2[nH]1
InChIInChI=1S/C22H24ClN7O2S/c1-14-19(12-29(2)27-14)20-11-18-21(26-20)24-13-25-22(18)30-9-7-16(8-10-30)28-33(31,32)17-5-3-15(23)4-6-17/h3-6,11-13,16,28H,7-10H2,1-2H3,(H,24,25,26)
InChIKeyZTBFFRNCHRMIBF-UHFFFAOYSA-N
MW486.00 g/mol
LogP3.27
Rot. Bonds5

About 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide

4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide (PubChem CID 90115098) has the molecular formula C22H24ClN7O2S and a molecular weight of 486.00 g/mol. Its IUPAC name is 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide
PubChem CID90115098
Molecular FormulaC22H24ClN7O2S
Molecular Weight486.00 g/mol
Exact Mass485.14
IUPAC Name4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide
SMILESCc1nn(C)cc1-c1cc2c(N3CCC(NS(=O)(=O)c4ccc(Cl)cc4)CC3)ncnc2[nH]1
InChIInChI=1S/C22H24ClN7O2S/c1-14-19(12-29(2)27-14)20-11-18-21(26-20)24-13-25-22(18)30-9-7-16(8-10-30)28-33(31,32)17-5-3-15(23)4-6-17/h3-6,11-13,16,28H,7-10H2,1-2H3,(H,24,25,26)
InChIKeyZTBFFRNCHRMIBF-UHFFFAOYSA-N
XLogP3.27
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide 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 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide (CID 90115098) is 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide is Cc1nn(C)cc1-c1cc2c(N3CCC(NS(=O)(=O)c4ccc(Cl)cc4)CC3)ncnc2[nH]1.
What is the InChIKey of 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is ZTBFFRNCHRMIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN7O2S/c1-14-19(12-29(2)27-14)20-11-18-21(26-20)24-13-25-22(18)30-9-7-16(8-10-30)28-33(31,32)17-5-3-15(23)4-6-17/h3-6,11-13,16,28H,7-10H2,1-2H3,(H,24,25,26).
What are the key properties of 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 486.00 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90115098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).