7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

C17H20ClN5O2S — CID 172716410

IUPAC7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCCNS(=O)(=O)c1c(CC)nn2c(Nc3ccc(Cl)cc3C)ccnc12
InChIInChI=1S/C17H20ClN5O2S/c1-4-13-16(26(24,25)20-5-2)17-19-9-8-15(23(17)22-13)21-14-7-6-12(18)10-11(14)3/h6-10,20-21H,4-5H2,1-3H3
InChIKeyFXNVSGZMKHEHIF-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.30
Rot. Bonds6

About 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide

7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 172716410) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound Name7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID172716410
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCCNS(=O)(=O)c1c(CC)nn2c(Nc3ccc(Cl)cc3C)ccnc12
InChIInChI=1S/C17H20ClN5O2S/c1-4-13-16(26(24,25)20-5-2)17-19-9-8-15(23(17)22-13)21-14-7-6-12(18)10-11(14)3/h6-10,20-21H,4-5H2,1-3H3
InChIKeyFXNVSGZMKHEHIF-UHFFFAOYSA-N
XLogP3.30
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 141305216
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 141305188
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112903988
4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216419
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
6-amino-N-(4-chloro-2-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258446
ethyl 2-[[4-(4-chloro-2-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112904014
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268142
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 172716410) is 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is CCNS(=O)(=O)c1c(CC)nn2c(Nc3ccc(Cl)cc3C)ccnc12.
What is the InChIKey of 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is FXNVSGZMKHEHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c1-4-13-16(26(24,25)20-5-2)17-19-9-8-15(23(17)22-13)21-14-7-6-12(18)10-11(14)3/h6-10,20-21H,4-5H2,1-3H3.
What are the key properties of 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide?
7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 393.90 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 172716410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).