4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide

C20H24BrN5O2S — CID 23541181

IUPAC4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cc(CC3CCCCC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H24BrN5O2S/c21-18-13-24-26-19(23-12-15-6-8-17(9-7-15)29(22,27)28)11-16(25-20(18)26)10-14-4-2-1-3-5-14/h6-9,11,13-14,23H,1-5,10,12H2,(H2,22,27,28)
InChIKeyGNSKAFLQXBTVQY-UHFFFAOYSA-N
MW478.42 g/mol
LogP3.87
Rot. Bonds6

About 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide

4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide (PubChem CID 23541181) has the molecular formula C20H24BrN5O2S and a molecular weight of 478.42 g/mol. Its IUPAC name is 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide
PubChem CID23541181
Molecular FormulaC20H24BrN5O2S
Molecular Weight478.42 g/mol
Exact Mass477.08
IUPAC Name4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cc(CC3CCCCC3)nc3c(Br)cnn23)cc1
InChIInChI=1S/C20H24BrN5O2S/c21-18-13-24-26-19(23-12-15-6-8-17(9-7-15)29(22,27)28)11-16(25-20(18)26)10-14-4-2-1-3-5-14/h6-9,11,13-14,23H,1-5,10,12H2,(H2,22,27,28)
InChIKeyGNSKAFLQXBTVQY-UHFFFAOYSA-N
XLogP3.87
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]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-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide (CID 23541181) is 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2cc(CC3CCCCC3)nc3c(Br)cnn23)cc1.
What is the InChIKey of 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide?
The InChIKey is GNSKAFLQXBTVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2S/c21-18-13-24-26-19(23-12-15-6-8-17(9-7-15)29(22,27)28)11-16(25-20(18)26)10-14-4-2-1-3-5-14/h6-9,11,13-14,23H,1-5,10,12H2,(H2,22,27,28).
What are the key properties of 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide?
4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide has a molecular weight of 478.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-bromo-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 23541181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).