5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide

C10H9F3N4O3S — CID 60808101

IUPAC5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3N4O3S/c11-10(12,13)20-7-3-1-2-6(4-7)17-21(18,19)8-5-15-16-9(8)14/h1-5,17H,(H3,14,15,16)
InChIKeySIJKKFURFYUVPE-UHFFFAOYSA-N
MW322.27 g/mol
LogP1.69
Rot. Bonds4

About 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60808101) has the molecular formula C10H9F3N4O3S and a molecular weight of 322.27 g/mol. Its IUPAC name is 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID60808101
Molecular FormulaC10H9F3N4O3S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC Name5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3N4O3S/c11-10(12,13)20-7-3-1-2-6(4-7)17-21(18,19)8-5-15-16-9(8)14/h1-5,17H,(H3,14,15,16)
InChIKeySIJKKFURFYUVPE-UHFFFAOYSA-N
XLogP1.69
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
N-[3-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 63000026
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide (CID 60808101) is 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SIJKKFURFYUVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O3S/c11-10(12,13)20-7-3-1-2-6(4-7)17-21(18,19)8-5-15-16-9(8)14/h1-5,17H,(H3,14,15,16).
What are the key properties of 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 322.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60808101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).