2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid

C11H9Cl2N3O4S — CID 61018514

IUPAC2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C11H9Cl2N3O4S/c12-7-1-8(13)3-10(2-7)21(19,20)15-9-4-14-16(5-9)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyBLGLWCWZDNDGJY-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.08
Rot. Bonds5

About 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid

2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid (PubChem CID 61018514) has the molecular formula C11H9Cl2N3O4S and a molecular weight of 350.18 g/mol. Its IUPAC name is 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
PubChem CID61018514
Molecular FormulaC11H9Cl2N3O4S
Molecular Weight350.18 g/mol
Exact Mass348.97
IUPAC Name2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C11H9Cl2N3O4S/c12-7-1-8(13)3-10(2-7)21(19,20)15-9-4-14-16(5-9)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyBLGLWCWZDNDGJY-UHFFFAOYSA-N
XLogP2.08
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018649
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 62063149
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018509
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
CID 55009982
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid (CID 61018514) is 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
The InChIKey is BLGLWCWZDNDGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O4S/c12-7-1-8(13)3-10(2-7)21(19,20)15-9-4-14-16(5-9)6-11(17)18/h1-5,15H,6H2,(H,17,18).
What are the key properties of 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid?
2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid has a molecular weight of 350.18 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).