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

C10H12ClN5O2S2 — CID 25036629

IUPAC5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H12ClN5O2S2/c1-5-7(8(11)16(2)14-5)20(17,18)15-10-13-12-9(19-10)6-3-4-6/h6H,3-4H2,1-2H3,(H,13,15)
InChIKeyUOZUMBQVBDGLRI-UHFFFAOYSA-N
MW333.83 g/mol
LogP1.91
Rot. Bonds4

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

5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 25036629) has the molecular formula C10H12ClN5O2S2 and a molecular weight of 333.83 g/mol. Its IUPAC name is 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID25036629
Molecular FormulaC10H12ClN5O2S2
Molecular Weight333.83 g/mol
Exact Mass333.01
IUPAC Name5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C10H12ClN5O2S2/c1-5-7(8(11)16(2)14-5)20(17,18)15-10-13-12-9(19-10)6-3-4-6/h6H,3-4H2,1-2H3,(H,13,15)
InChIKeyUOZUMBQVBDGLRI-UHFFFAOYSA-N
XLogP1.91
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide (CID 25036629) is 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is UOZUMBQVBDGLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2S2/c1-5-7(8(11)16(2)14-5)20(17,18)15-10-13-12-9(19-10)6-3-4-6/h6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 333.83 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 25036629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).