N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C12H15BrN4O2S — CID 106058544

IUPACN-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H15BrN4O2S/c1-8-5-10(3-4-11(8)13)17-20(18,19)12-9(6-14-2)7-15-16-12/h3-5,7,14,17H,6H2,1-2H3,(H,15,16)
InChIKeyFIRIFSWXOBTIMJ-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.00
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106058544) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106058544
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H15BrN4O2S/c1-8-5-10(3-4-11(8)13)17-20(18,19)12-9(6-14-2)7-15-16-12/h3-5,7,14,17H,6H2,1-2H3,(H,15,16)
InChIKeyFIRIFSWXOBTIMJ-UHFFFAOYSA-N
XLogP2.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087341
4-(methylaminomethyl)-N-(6-methyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106073192
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106064469
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
N-[3-(dimethylamino)phenyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106073945
N-(5-bromo-2,4-difluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106087034
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106056684
N-(5-bromo-2-methoxyphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106052104
4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 107509170
N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106030354
N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089323

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106058544) is N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is FIRIFSWXOBTIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-8-5-10(3-4-11(8)13)17-20(18,19)12-9(6-14-2)7-15-16-12/h3-5,7,14,17H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106058544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).