3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C10H7Cl2N3O4S — CID 64527691

IUPAC3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C10H7Cl2N3O4S/c11-5-1-6(12)3-7(2-5)20(18,19)15-9-4-8(10(16)17)13-14-9/h1-4H,(H,16,17)(H2,13,14,15)
InChIKeyRMZXFJVNQGHAAW-UHFFFAOYSA-N
MW336.16 g/mol
LogP2.22
Rot. Bonds4

About 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527691) has the molecular formula C10H7Cl2N3O4S and a molecular weight of 336.16 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527691
Molecular FormulaC10H7Cl2N3O4S
Molecular Weight336.16 g/mol
Exact Mass334.95
IUPAC Name3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]1
InChIInChI=1S/C10H7Cl2N3O4S/c11-5-1-6(12)3-7(2-5)20(18,19)15-9-4-8(10(16)17)13-14-9/h1-4H,(H,16,17)(H2,13,14,15)
InChIKeyRMZXFJVNQGHAAW-UHFFFAOYSA-N
XLogP2.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64527691) is 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n[nH]1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is RMZXFJVNQGHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O4S/c11-5-1-6(12)3-7(2-5)20(18,19)15-9-4-8(10(16)17)13-14-9/h1-4H,(H,16,17)(H2,13,14,15).
What are the key properties of 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 336.16 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).