2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C12H14BrN3O4S — CID 63822071

IUPAC2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2cc(C)[nH]n2)cc1OC
InChIInChI=1S/C12H14BrN3O4S/c1-7-4-12(15-14-7)16-21(17,18)11-6-10(20-3)9(19-2)5-8(11)13/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyHFHHYQJGDRACDS-UHFFFAOYSA-N
MW376.23 g/mol
LogP2.30
Rot. Bonds5

About 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 63822071) has the molecular formula C12H14BrN3O4S and a molecular weight of 376.23 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID63822071
Molecular FormulaC12H14BrN3O4S
Molecular Weight376.23 g/mol
Exact Mass374.99
IUPAC Name2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2cc(C)[nH]n2)cc1OC
InChIInChI=1S/C12H14BrN3O4S/c1-7-4-12(15-14-7)16-21(17,18)11-6-10(20-3)9(19-2)5-8(11)13/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyHFHHYQJGDRACDS-UHFFFAOYSA-N
XLogP2.30
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(5-methyl-1H-pyrazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 83231282
5-bromo-2-ethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822427
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795
N-(2H-benzotriazol-5-yl)-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 71861623
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 55259447
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
2,5-difluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823168
2-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63823361
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 63822071) is 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is COc1cc(Br)c(S(=O)(=O)Nc2cc(C)[nH]n2)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is HFHHYQJGDRACDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O4S/c1-7-4-12(15-14-7)16-21(17,18)11-6-10(20-3)9(19-2)5-8(11)13/h4-6H,1-3H3,(H2,14,15,16).
What are the key properties of 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 376.23 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 63822071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).