3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide

C11H10ClN5O2S2 — CID 75396386

IUPAC3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1
InChIInChI=1S/C11H10ClN5O2S2/c1-6-5-20-11(14-6)16-21(18,19)8-3-13-10-9(12)7(2)15-17(10)4-8/h3-5H,1-2H3,(H,14,16)
InChIKeyICNKTTIGDNDFTP-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.26
Rot. Bonds3

About 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide

3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide (PubChem CID 75396386) has the molecular formula C11H10ClN5O2S2 and a molecular weight of 343.82 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
PubChem CID75396386
Molecular FormulaC11H10ClN5O2S2
Molecular Weight343.82 g/mol
Exact Mass343.00
IUPAC Name3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1
InChIInChI=1S/C11H10ClN5O2S2/c1-6-5-20-11(14-6)16-21(18,19)8-3-13-10-9(12)7(2)15-17(10)4-8/h3-5H,1-2H3,(H,14,16)
InChIKeyICNKTTIGDNDFTP-UHFFFAOYSA-N
XLogP2.26
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide (CID 75396386) is 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide is Cc1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1.
What is the InChIKey of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The InChIKey is ICNKTTIGDNDFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2S2/c1-6-5-20-11(14-6)16-21(18,19)8-3-13-10-9(12)7(2)15-17(10)4-8/h3-5H,1-2H3,(H,14,16).
What are the key properties of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide?
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide has a molecular weight of 343.82 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 75396386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).