N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide

C10H10BrN3O3S — CID 63998008

IUPACN-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Br
InChIInChI=1S/C10H10BrN3O3S/c1-17-10-3-2-7(4-9(10)11)14-18(15,16)8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13)
InChIKeyTXQLYFQDBHUSGH-UHFFFAOYSA-N
MW332.18 g/mol
LogP1.98
Rot. Bonds4

About N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide

N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 63998008) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID63998008
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC NameN-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Br
InChIInChI=1S/C10H10BrN3O3S/c1-17-10-3-2-7(4-9(10)11)14-18(15,16)8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13)
InChIKeyTXQLYFQDBHUSGH-UHFFFAOYSA-N
XLogP1.98
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
N-(4-bromo-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 79767477
N-(3-bromo-4-methoxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 63999221
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide (CID 63998008) is N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is TXQLYFQDBHUSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c1-17-10-3-2-7(4-9(10)11)14-18(15,16)8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide?
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 332.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63998008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).