5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide

C9H11N5O4S2 — CID 60808929

IUPAC5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H11N5O4S2/c10-9-8(5-12-13-9)20(17,18)14-6-2-1-3-7(4-6)19(11,15)16/h1-5,14H,(H3,10,12,13)(H2,11,15,16)
InChIKeyRMPGCGSQGZOKRG-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.56
Rot. Bonds4

About 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60808929) has the molecular formula C9H11N5O4S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60808929
Molecular FormulaC9H11N5O4S2
Molecular Weight317.35 g/mol
Exact Mass317.03
IUPAC Name5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H11N5O4S2/c10-9-8(5-12-13-9)20(17,18)14-6-2-1-3-7(4-6)19(11,15)16/h1-5,14H,(H3,10,12,13)(H2,11,15,16)
InChIKeyRMPGCGSQGZOKRG-UHFFFAOYSA-N
XLogP-0.56
TPSA161.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide (CID 60808929) is 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RMPGCGSQGZOKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S2/c10-9-8(5-12-13-9)20(17,18)14-6-2-1-3-7(4-6)19(11,15)16/h1-5,14H,(H3,10,12,13)(H2,11,15,16).
What are the key properties of 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 317.35 g/mol, XLogP of -0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60808929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).