N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide

C12H14BrN3O2S — CID 104709984

IUPACN-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H14BrN3O2S/c1-15(9-10-5-3-4-6-11(10)13)19(17,18)12-7-8-14-16(12)2/h3-8H,9H2,1-2H3
InChIKeyVLIIMKWDJJUJTA-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.00
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide

N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide (PubChem CID 104709984) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
PubChem CID104709984
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC NameN-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H14BrN3O2S/c1-15(9-10-5-3-4-6-11(10)13)19(17,18)12-7-8-14-16(12)2/h3-8H,9H2,1-2H3
InChIKeyVLIIMKWDJJUJTA-UHFFFAOYSA-N
XLogP2.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide
CID 127878923
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 61419915
N-(2-bromo-3-methoxypropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710609
N-(3-amino-2-methylpropyl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104709309
N-[2-(2-aminoethoxy)ethyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 114243749
2-methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene
CID 115969609
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
N-[(2-aminophenyl)methyl]-2-bromo-N-methylbenzenesulfonamide
CID 43458478
methyl 2-[(2-methoxy-2-oxoethyl)-(2-methylpyrazol-3-yl)sulfonylamino]acetate
CID 104710370

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide (CID 104709984) is N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide is CN(Cc1ccccc1Br)S(=O)(=O)c1ccnn1C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide?
The InChIKey is VLIIMKWDJJUJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-15(9-10-5-3-4-6-11(10)13)19(17,18)12-7-8-14-16(12)2/h3-8H,9H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide?
N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).