N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

C13H16BrN3O2S — CID 42282469

IUPACN-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2S/c1-9(2)17-8-13(10(3)15-17)20(18,19)16-12-6-4-11(14)5-7-12/h4-9,16H,1-3H3
InChIKeyKBFOGSLSOLJACP-UHFFFAOYSA-N
MW358.26 g/mol
LogP3.34
Rot. Bonds4

About N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282469) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282469
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC NameN-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2S/c1-9(2)17-8-13(10(3)15-17)20(18,19)16-12-6-4-11(14)5-7-12/h4-9,16H,1-3H3
InChIKeyKBFOGSLSOLJACP-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282457
methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282484
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide
CID 167775799
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282522
3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42282470
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282564
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282516

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282469) is N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is KBFOGSLSOLJACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-9(2)17-8-13(10(3)15-17)20(18,19)16-12-6-4-11(14)5-7-12/h4-9,16H,1-3H3.
What are the key properties of N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 358.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).