N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

C11H11BrFN3O2S — CID 4775964

IUPACN-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(Br)cc2F)cnn1C
InChIInChI=1S/C11H11BrFN3O2S/c1-7-11(6-14-16(7)2)19(17,18)15-10-4-3-8(12)5-9(10)13/h3-6,15H,1-2H3
InChIKeyBCYRWJBFLADUKX-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.43
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 4775964) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID4775964
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(Br)cc2F)cnn1C
InChIInChI=1S/C11H11BrFN3O2S/c1-7-11(6-14-16(7)2)19(17,18)15-10-4-3-8(12)5-9(10)13/h3-6,15H,1-2H3
InChIKeyBCYRWJBFLADUKX-UHFFFAOYSA-N
XLogP2.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6467434
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
N-(4-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682492
N-(3-fluorophenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 53621658
2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71912807
N-(4-bromophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 2805609
N-(3-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 5295517
N-(3-chloro-4-fluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6465744
4-bromo-N-(1,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 17376813
4-Bromo-N-(1,3-dimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 22209076
4-Bromo-N-(1-methyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 39874242
4-Bromo-2-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 58561188

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 4775964) is N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(Br)cc2F)cnn1C.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is BCYRWJBFLADUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-7-11(6-14-16(7)2)19(17,18)15-10-4-3-8(12)5-9(10)13/h3-6,15H,1-2H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 348.20 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 4775964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).