5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide

C12H16BrN3O2S2 — CID 115687613

IUPAC5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H16BrN3O2S2/c1-7-8(5-10(13)19-7)20(17,18)16-11-6-9(14-15-11)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyVRDURQTZJMHLAL-UHFFFAOYSA-N
MW378.32 g/mol
LogP3.64
Rot. Bonds3

About 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 115687613) has the molecular formula C12H16BrN3O2S2 and a molecular weight of 378.32 g/mol. Its IUPAC name is 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
PubChem CID115687613
Molecular FormulaC12H16BrN3O2S2
Molecular Weight378.32 g/mol
Exact Mass376.99
IUPAC Name5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H16BrN3O2S2/c1-7-8(5-10(13)19-7)20(17,18)16-11-6-9(14-15-11)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyVRDURQTZJMHLAL-UHFFFAOYSA-N
XLogP3.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 104619460
5-amino-2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616990
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3726599
5-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 104617001
N-(5-tert-butyl-1H-pyrazol-3-yl)naphthalene-1-sulfonamide
CID 3607226
N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616993
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide (CID 115687613) is 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is VRDURQTZJMHLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2S2/c1-7-8(5-10(13)19-7)20(17,18)16-11-6-9(14-15-11)12(2,3)4/h5-6H,1-4H3,(H2,14,15,16).
What are the key properties of 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 378.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115687613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).