N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C12H13BrFN3O2S — CID 61300828

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H13BrFN3O2S/c1-7-12(8(2)17-16-7)20(18,19)15-6-9-5-10(13)3-4-11(9)14/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeySOVJIOHWFQWFQH-UHFFFAOYSA-N
MW362.22 g/mol
LogP2.41
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 61300828) has the molecular formula C12H13BrFN3O2S and a molecular weight of 362.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID61300828
Molecular FormulaC12H13BrFN3O2S
Molecular Weight362.22 g/mol
Exact Mass360.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H13BrFN3O2S/c1-7-12(8(2)17-16-7)20(18,19)15-6-9-5-10(13)3-4-11(9)14/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeySOVJIOHWFQWFQH-UHFFFAOYSA-N
XLogP2.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62533973
1-(5-bromo-2-fluorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 61068725
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
N-[2-(3,4-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110788295
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
CID 114808753
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 61300828) is N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SOVJIOHWFQWFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O2S/c1-7-12(8(2)17-16-7)20(18,19)15-6-9-5-10(13)3-4-11(9)14/h3-5,15H,6H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 362.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61300828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).