N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide

C14H14ClN5O2S — CID 59633669

IUPACN-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide
SMILESCCn1nc(-c2ccc(Cl)cc2)c2c(NS(C)(=O)=O)ncnc21
InChIInChI=1S/C14H14ClN5O2S/c1-3-20-14-11(13(16-8-17-14)19-23(2,21)22)12(18-20)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyRHUWMHFEFAJDLB-UHFFFAOYSA-N
MW351.82 g/mol
LogP2.54
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide

N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide (PubChem CID 59633669) has the molecular formula C14H14ClN5O2S and a molecular weight of 351.82 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide
PubChem CID59633669
Molecular FormulaC14H14ClN5O2S
Molecular Weight351.82 g/mol
Exact Mass351.06
IUPAC NameN-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide
SMILESCCn1nc(-c2ccc(Cl)cc2)c2c(NS(C)(=O)=O)ncnc21
InChIInChI=1S/C14H14ClN5O2S/c1-3-20-14-11(13(16-8-17-14)19-23(2,21)22)12(18-20)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,17,19)
InChIKeyRHUWMHFEFAJDLB-UHFFFAOYSA-N
XLogP2.54
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide (CID 59633669) is N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide is CCn1nc(-c2ccc(Cl)cc2)c2c(NS(C)(=O)=O)ncnc21.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide?
The InChIKey is RHUWMHFEFAJDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S/c1-3-20-14-11(13(16-8-17-14)19-23(2,21)22)12(18-20)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H,16,17,19).
What are the key properties of N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide?
N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide has a molecular weight of 351.82 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide is sourced from PubChem (CID 59633669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).