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

C11H9BrFN3O4S — CID 61018509

IUPAC2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NS(=O)(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H9BrFN3O4S/c12-9-3-7(13)1-2-10(9)21(19,20)15-8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyHVEXSCYDCPOPAP-UHFFFAOYSA-N
MW378.18 g/mol
LogP1.67
Rot. Bonds5

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

2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid (PubChem CID 61018509) has the molecular formula C11H9BrFN3O4S and a molecular weight of 378.18 g/mol. Its IUPAC name is 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
PubChem CID61018509
Molecular FormulaC11H9BrFN3O4S
Molecular Weight378.18 g/mol
Exact Mass376.95
IUPAC Name2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NS(=O)(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C11H9BrFN3O4S/c12-9-3-7(13)1-2-10(9)21(19,20)15-8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyHVEXSCYDCPOPAP-UHFFFAOYSA-N
XLogP1.67
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018649
2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide
CID 86878532
2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018514
4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63650957
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
ethyl 3-bromo-4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoate
CID 39836984
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid (CID 61018509) is 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NS(=O)(=O)c2ccc(F)cc2Br)cn1.
What is the InChIKey of 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The InChIKey is HVEXSCYDCPOPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O4S/c12-9-3-7(13)1-2-10(9)21(19,20)15-8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18).
What are the key properties of 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid has a molecular weight of 378.18 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).