N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide

C11H12BrN3O2S — CID 62049706

IUPACN-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN3O2S/c1-15-8-10(7-13-15)18(16,17)14-6-9-4-2-3-5-11(9)12/h2-5,7-8,14H,6H2,1H3
InChIKeyCLQAMHNSXAGGMJ-UHFFFAOYSA-N
MW330.21 g/mol
LogP1.66
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 62049706) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID62049706
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccccc2Br)cn1
InChIInChI=1S/C11H12BrN3O2S/c1-15-8-10(7-13-15)18(16,17)14-6-9-4-2-3-5-11(9)12/h2-5,7-8,14H,6H2,1H3
InChIKeyCLQAMHNSXAGGMJ-UHFFFAOYSA-N
XLogP1.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 47318060
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229
5-(aminomethyl)-N-[(2-bromophenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106051880
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 79530011
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 62049706) is N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccccc2Br)cn1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is CLQAMHNSXAGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-15-8-10(7-13-15)18(16,17)14-6-9-4-2-3-5-11(9)12/h2-5,7-8,14H,6H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 330.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62049706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).