N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide

C16H17Cl2N5O2S — CID 141305188

IUPACN-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnn2c(Nc3cc(Cl)ccc3Cl)ccnc12
InChIInChI=1S/C16H17Cl2N5O2S/c1-16(2,3)22-26(24,25)13-9-20-23-14(6-7-19-15(13)23)21-12-8-10(17)4-5-11(12)18/h4-9,21-22H,1-3H3
InChIKeyBMVVHAPMPFUCGH-UHFFFAOYSA-N
MW414.32 g/mol
LogP3.86
Rot. Bonds4

About N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide

N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide (PubChem CID 141305188) has the molecular formula C16H17Cl2N5O2S and a molecular weight of 414.32 g/mol. Its IUPAC name is N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
PubChem CID141305188
Molecular FormulaC16H17Cl2N5O2S
Molecular Weight414.32 g/mol
Exact Mass413.05
IUPAC NameN-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnn2c(Nc3cc(Cl)ccc3Cl)ccnc12
InChIInChI=1S/C16H17Cl2N5O2S/c1-16(2,3)22-26(24,25)13-9-20-23-14(6-7-19-15(13)23)21-12-8-10(17)4-5-11(12)18/h4-9,21-22H,1-3H3
InChIKeyBMVVHAPMPFUCGH-UHFFFAOYSA-N
XLogP3.86
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 53.86
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
ethyl 3-(tert-butylsulfamoyl)-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71179019
3-(tert-butylsulfamoyl)-7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 141364709
3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 122365730
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
7-(4-chloro-2-methylanilino)-N,2-diethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 172716410
N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
CID 117064126
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
CID 80640845
[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168715
2-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonic acid
CID 151715868
N-(5-chloro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775093
N-(2,5-dichlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 154454877

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The IUPAC name of N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide (CID 141305188) is N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1cnn2c(Nc3cc(Cl)ccc3Cl)ccnc12.
What is the InChIKey of N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
The InChIKey is BMVVHAPMPFUCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O2S/c1-16(2,3)22-26(24,25)13-9-20-23-14(6-7-19-15(13)23)21-12-8-10(17)4-5-11(12)18/h4-9,21-22H,1-3H3.
What are the key properties of N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide?
N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide has a molecular weight of 414.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide is sourced from PubChem (CID 141305188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).