2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid

C11H10BrN3O4S — CID 61018649

IUPAC2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NS(=O)(=O)c2ccccc2Br)cn1
InChIInChI=1S/C11H10BrN3O4S/c12-9-3-1-2-4-10(9)20(18,19)14-8-5-13-15(6-8)7-11(16)17/h1-6,14H,7H2,(H,16,17)
InChIKeyLWDPABDXWKNCPY-UHFFFAOYSA-N
MW360.19 g/mol
LogP1.53
Rot. Bonds5

About 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid

2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid (PubChem CID 61018649) has the molecular formula C11H10BrN3O4S and a molecular weight of 360.19 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
PubChem CID61018649
Molecular FormulaC11H10BrN3O4S
Molecular Weight360.19 g/mol
Exact Mass358.96
IUPAC Name2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NS(=O)(=O)c2ccccc2Br)cn1
InChIInChI=1S/C11H10BrN3O4S/c12-9-3-1-2-4-10(9)20(18,19)14-8-5-13-15(6-8)7-11(16)17/h1-6,14H,7H2,(H,16,17)
InChIKeyLWDPABDXWKNCPY-UHFFFAOYSA-N
XLogP1.53
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid 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

2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018509
2-[4-[(2,6-dibromophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107601737
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018514
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 62063149
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 107596854
2-[4-[(2-chloro-3-pyridinyl)sulfonylamino]pyrazol-1-yl]acetamide
CID 61051057

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid (CID 61018649) is 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NS(=O)(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The InChIKey is LWDPABDXWKNCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4S/c12-9-3-1-2-4-10(9)20(18,19)14-8-5-13-15(6-8)7-11(16)17/h1-6,14H,7H2,(H,16,17).
What are the key properties of 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid has a molecular weight of 360.19 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).