2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide

C12H17N3O2S2 — CID 138052597

IUPAC2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide
SMILESCc1csc(C)c1S(=O)(=O)Nc1cn[nH]c1C(C)C
InChIInChI=1S/C12H17N3O2S2/c1-7(2)11-10(5-13-14-11)15-19(16,17)12-8(3)6-18-9(12)4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyJASAPQWCYYUDJJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.01
Rot. Bonds4

About 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide

2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide (PubChem CID 138052597) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide
PubChem CID138052597
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide
SMILESCc1csc(C)c1S(=O)(=O)Nc1cn[nH]c1C(C)C
InChIInChI=1S/C12H17N3O2S2/c1-7(2)11-10(5-13-14-11)15-19(16,17)12-8(3)6-18-9(12)4/h5-7,15H,1-4H3,(H,13,14)
InChIKeyJASAPQWCYYUDJJ-UHFFFAOYSA-N
XLogP3.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide (CID 138052597) is 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide is Cc1csc(C)c1S(=O)(=O)Nc1cn[nH]c1C(C)C.
What is the InChIKey of 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The InChIKey is JASAPQWCYYUDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-7(2)11-10(5-13-14-11)15-19(16,17)12-8(3)6-18-9(12)4/h5-7,15H,1-4H3,(H,13,14).
What are the key properties of 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(5-propan-2-yl-1H-pyrazol-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 138052597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).