7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

C15H16ClN5O2S — CID 141305216

IUPAC7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cnn2c(Nc3cc(C)ccc3Cl)ccnc12
InChIInChI=1S/C15H16ClN5O2S/c1-3-19-24(22,23)13-9-18-21-14(6-7-17-15(13)21)20-12-8-10(2)4-5-11(12)16/h4-9,19-20H,3H2,1-2H3
InChIKeyVFZPFRIYWILWCN-UHFFFAOYSA-N
MW365.85 g/mol
LogP2.73
Rot. Bonds5

About 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 141305216) has the molecular formula C15H16ClN5O2S and a molecular weight of 365.85 g/mol. Its IUPAC name is 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID141305216
Molecular FormulaC15H16ClN5O2S
Molecular Weight365.85 g/mol
Exact Mass365.07
IUPAC Name7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCCNS(=O)(=O)c1cnn2c(Nc3cc(C)ccc3Cl)ccnc12
InChIInChI=1S/C15H16ClN5O2S/c1-3-19-24(22,23)13-9-18-21-14(6-7-17-15(13)21)20-12-8-10(2)4-5-11(12)16/h4-9,19-20H,3H2,1-2H3
InChIKeyVFZPFRIYWILWCN-UHFFFAOYSA-N
XLogP2.73
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 141305188
3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 122365730
7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 172716410
7-(2-chloro-5-methylanilino)-6-[6-(4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-N-propylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 151921750
ethyl 3-(tert-butylsulfamoyl)-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71179019
8-N-(2-chloro-5-methylphenyl)-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 107638907
5-chloro-N-(2-chloro-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107637055
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
6-amino-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107624515
N-[7-(2-chloro-5-methylanilino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylpropanamide
CID 90312567
3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 167851556
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 141305216) is 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is CCNS(=O)(=O)c1cnn2c(Nc3cc(C)ccc3Cl)ccnc12.
What is the InChIKey of 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is VFZPFRIYWILWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2S/c1-3-19-24(22,23)13-9-18-21-14(6-7-17-15(13)21)20-12-8-10(2)4-5-11(12)16/h4-9,19-20H,3H2,1-2H3.
What are the key properties of 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 365.85 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 141305216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).