1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide

C11H11BrF2N4O2S — CID 106087019

IUPAC1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cn1
InChIInChI=1S/C11H11BrF2N4O2S/c12-8-3-11(10(14)4-9(8)13)17-21(19,20)7-5-16-18(6-7)2-1-15/h3-6,17H,1-2,15H2
InChIKeyYDZOIQJTRHQREM-UHFFFAOYSA-N
MW381.20 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide (PubChem CID 106087019) has the molecular formula C11H11BrF2N4O2S and a molecular weight of 381.20 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
PubChem CID106087019
Molecular FormulaC11H11BrF2N4O2S
Molecular Weight381.20 g/mol
Exact Mass379.98
IUPAC Name1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
SMILESNCCn1cc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cn1
InChIInChI=1S/C11H11BrF2N4O2S/c12-8-3-11(10(14)4-9(8)13)17-21(19,20)7-5-16-18(6-7)2-1-15/h3-6,17H,1-2,15H2
InChIKeyYDZOIQJTRHQREM-UHFFFAOYSA-N
XLogP1.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-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

1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
CID 106078329
1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 106031094
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 102854113
1-(2-aminoethyl)-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide
CID 106059592
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43555600
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide (CID 106087019) is 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide is NCCn1cc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide?
The InChIKey is YDZOIQJTRHQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4O2S/c12-8-3-11(10(14)4-9(8)13)17-21(19,20)7-5-16-18(6-7)2-1-15/h3-6,17H,1-2,15H2.
What are the key properties of 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide has a molecular weight of 381.20 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106087019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).