N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

C11H16ClN5O2S2 — CID 25036756

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H16ClN5O2S2/c1-6-7(8(12)17(5)15-6)21(18,19)16-10-14-13-9(20-10)11(2,3)4/h1-5H3,(H,14,16)
InChIKeyPSYWMSQWYQFXMD-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.33
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 25036756) has the molecular formula C11H16ClN5O2S2 and a molecular weight of 349.87 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID25036756
Molecular FormulaC11H16ClN5O2S2
Molecular Weight349.87 g/mol
Exact Mass349.04
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H16ClN5O2S2/c1-6-7(8(12)17(5)15-6)21(18,19)16-10-14-13-9(20-10)11(2,3)4/h1-5H3,(H,14,16)
InChIKeyPSYWMSQWYQFXMD-UHFFFAOYSA-N
XLogP2.33
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide (CID 25036756) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is PSYWMSQWYQFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2S2/c1-6-7(8(12)17(5)15-6)21(18,19)16-10-14-13-9(20-10)11(2,3)4/h1-5H3,(H,14,16).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 349.87 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 25036756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).