3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H12BrClN4O2S — CID 106073368

IUPAC3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H12BrClN4O2S/c1-6-11(10(5-14)16-15-6)20(18,19)17-9-4-7(13)2-3-8(9)12/h2-4,17H,5,14H2,1H3,(H,15,16)
InChIKeyZIUOENYDHWFWRA-UHFFFAOYSA-N
MW379.67 g/mol
LogP2.39
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106073368) has the molecular formula C11H12BrClN4O2S and a molecular weight of 379.67 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106073368
Molecular FormulaC11H12BrClN4O2S
Molecular Weight379.67 g/mol
Exact Mass377.96
IUPAC Name3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C11H12BrClN4O2S/c1-6-11(10(5-14)16-15-6)20(18,19)17-9-4-7(13)2-3-8(9)12/h2-4,17H,5,14H2,1H3,(H,15,16)
InChIKeyZIUOENYDHWFWRA-UHFFFAOYSA-N
XLogP2.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106061953
3-(aminomethyl)-N-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106006895
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106088096
3-(aminomethyl)-5-methyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106073270
3-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055214
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106067066
4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107624884
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(2-bromo-5-chlorophenyl)-2-(ethylamino)benzenesulfonamide
CID 81256088
3-(aminomethyl)-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106003747
N-(2-bromo-5-chlorophenyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 100695748

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 106073368) is 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is ZIUOENYDHWFWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O2S/c1-6-11(10(5-14)16-15-6)20(18,19)17-9-4-7(13)2-3-8(9)12/h2-4,17H,5,14H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 379.67 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106073368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).