N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide

C11H13BrN4O2S — CID 71993033

IUPACN-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2cccc(Br)n2)cn1
InChIInChI=1S/C11H13BrN4O2S/c1-8(2)16-7-9(6-13-16)19(17,18)15-11-5-3-4-10(12)14-11/h3-8H,1-2H3,(H,14,15)
InChIKeyWMDZKGWPLISGAQ-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.42
Rot. Bonds4

About N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71993033) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71993033
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC NameN-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)Nc2cccc(Br)n2)cn1
InChIInChI=1S/C11H13BrN4O2S/c1-8(2)16-7-9(6-13-16)19(17,18)15-11-5-3-4-10(12)14-11/h3-8H,1-2H3,(H,14,15)
InChIKeyWMDZKGWPLISGAQ-UHFFFAOYSA-N
XLogP2.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688396
2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 171783811
N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 43520632
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688263
N-(6-bromo-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 115631079
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 71993033) is N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)Nc2cccc(Br)n2)cn1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is WMDZKGWPLISGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-8(2)16-7-9(6-13-16)19(17,18)15-11-5-3-4-10(12)14-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71993033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).