N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H12BrN3O3S — CID 81497421

IUPACN-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C11H12BrN3O3S/c1-6-11(7(2)14-13-6)19(17,18)15-9-5-3-4-8(12)10(9)16/h3-5,15-16H,1-2H3,(H,13,14)
InChIKeyUITGFHZCMBNWMI-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.30
Rot. Bonds3

About N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 81497421) has the molecular formula C11H12BrN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID81497421
Molecular FormulaC11H12BrN3O3S
Molecular Weight346.21 g/mol
Exact Mass344.98
IUPAC NameN-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C11H12BrN3O3S/c1-6-11(7(2)14-13-6)19(17,18)15-9-5-3-4-8(12)10(9)16/h3-5,15-16H,1-2H3,(H,13,14)
InChIKeyUITGFHZCMBNWMI-UHFFFAOYSA-N
XLogP2.30
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(1H-indol-7-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110867609
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
N-(2-ethylsulfanylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60934151
N-(3-bromo-2-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106088134
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 81497421) is N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(Br)c1O.
What is the InChIKey of N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UITGFHZCMBNWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S/c1-6-11(7(2)14-13-6)19(17,18)15-9-5-3-4-8(12)10(9)16/h3-5,15-16H,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 346.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 81497421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).