2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid

C12H8Cl2N4O3S — CID 151715868

IUPAC2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid
SMILESO=S(=O)(O)c1c(Nc2cc(Cl)ccc2Cl)nn2cccnc12
InChIInChI=1S/C12H8Cl2N4O3S/c13-7-2-3-8(14)9(6-7)16-11-10(22(19,20)21)12-15-4-1-5-18(12)17-11/h1-6H,(H,16,17)(H,19,20,21)
InChIKeyRHNUFEYPYJFRFM-UHFFFAOYSA-N
MW359.19 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid

2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid (PubChem CID 151715868) has the molecular formula C12H8Cl2N4O3S and a molecular weight of 359.19 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid
PubChem CID151715868
Molecular FormulaC12H8Cl2N4O3S
Molecular Weight359.19 g/mol
Exact Mass357.97
IUPAC Name2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid
SMILESO=S(=O)(O)c1c(Nc2cc(Cl)ccc2Cl)nn2cccnc12
InChIInChI=1S/C12H8Cl2N4O3S/c13-7-2-3-8(14)9(6-7)16-11-10(22(19,20)21)12-15-4-1-5-18(12)17-11/h1-6H,(H,16,17)(H,19,20,21)
InChIKeyRHNUFEYPYJFRFM-UHFFFAOYSA-N
XLogP3.03
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259509
3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462067
2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271864
6-(2,5-dichloroanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267654
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
N-(2,6-difluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 166393056
4-(2,5-dichloroanilino)quinazolin-5-ol
CID 135830925
2-amino-N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 55044124
3-bromo-N-(4-chloro-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462102
N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 141305188
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid?
The IUPAC name of 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid (CID 151715868) is 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid.
What is the SMILES notation for 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid?
The canonical SMILES for 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid is O=S(=O)(O)c1c(Nc2cc(Cl)ccc2Cl)nn2cccnc12.
What is the InChIKey of 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid?
The InChIKey is RHNUFEYPYJFRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O3S/c13-7-2-3-8(14)9(6-7)16-11-10(22(19,20)21)12-15-4-1-5-18(12)17-11/h1-6H,(H,16,17)(H,19,20,21).
What are the key properties of 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid?
2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid has a molecular weight of 359.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid is sourced from PubChem (CID 151715868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).