4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide

C10H9BrCl2N4O2S — CID 106088231

IUPAC4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H9BrCl2N4O2S/c11-6-1-2-7(9(13)8(6)12)17-20(18,19)10-5(3-14)4-15-16-10/h1-2,4,17H,3,14H2,(H,15,16)
InChIKeyTXKUZCLBFWMAOQ-UHFFFAOYSA-N
MW400.09 g/mol
LogP2.74
Rot. Bonds4

About 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106088231) has the molecular formula C10H9BrCl2N4O2S and a molecular weight of 400.09 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
PubChem CID106088231
Molecular FormulaC10H9BrCl2N4O2S
Molecular Weight400.09 g/mol
Exact Mass397.90
IUPAC Name4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
SMILESNCc1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H9BrCl2N4O2S/c11-6-1-2-7(9(13)8(6)12)17-20(18,19)10-5(3-14)4-15-16-10/h1-2,4,17H,3,14H2,(H,15,16)
InChIKeyTXKUZCLBFWMAOQ-UHFFFAOYSA-N
XLogP2.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.09
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107787367
4-(aminomethyl)-N-(3-bromo-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106064469
4-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 106057867
4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
N-(5-bromo-2-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106056684
4-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-1H-pyrazole-5-sulfonamide
CID 106090355
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106086911
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
CID 107793247
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107794350

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide (CID 106088231) is 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide is NCc1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is TXKUZCLBFWMAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N4O2S/c11-6-1-2-7(9(13)8(6)12)17-20(18,19)10-5(3-14)4-15-16-10/h1-2,4,17H,3,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 400.09 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106088231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).