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

C9H9FN4O4S2 — CID 47337151

IUPACN-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C9H9FN4O4S2/c10-6-1-7(3-8(2-6)19(11,15)16)14-20(17,18)9-4-12-13-5-9/h1-5,14H,(H,12,13)(H2,11,15,16)
InChIKeyAYXJOOYIDMSCJM-UHFFFAOYSA-N
MW320.33 g/mol
LogP-0.00
Rot. Bonds4

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

N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47337151) has the molecular formula C9H9FN4O4S2 and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID47337151
Molecular FormulaC9H9FN4O4S2
Molecular Weight320.33 g/mol
Exact Mass320.00
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2cn[nH]c2)c1
InChIInChI=1S/C9H9FN4O4S2/c10-6-1-7(3-8(2-6)19(11,15)16)14-20(17,18)9-4-12-13-5-9/h1-5,14H,(H,12,13)(H2,11,15,16)
InChIKeyAYXJOOYIDMSCJM-UHFFFAOYSA-N
XLogP-0.00
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693893
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
5-(1H-pyrazol-4-ylsulfonylamino)benzene-1,3-dicarboxylic acid
CID 60916897
N-(4-amino-3-bromophenyl)-1H-pyrazole-4-sulfonamide
CID 82861812
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
CID 63687706
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
2-fluoro-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 103847505
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 105055698
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 55014078

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide (CID 47337151) is N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide is NS(=O)(=O)c1cc(F)cc(NS(=O)(=O)c2cn[nH]c2)c1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AYXJOOYIDMSCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O4S2/c10-6-1-7(3-8(2-6)19(11,15)16)14-20(17,18)9-4-12-13-5-9/h1-5,14H,(H,12,13)(H2,11,15,16).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide?
N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 320.33 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47337151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).