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

C10H9F3N4O2S — CID 60809570

IUPAC5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N4O2S/c11-10(12,13)6-2-1-3-7(4-6)17-20(18,19)8-5-15-16-9(8)14/h1-5,17H,(H3,14,15,16)
InChIKeyKEIVPUCHYABHSE-UHFFFAOYSA-N
MW306.27 g/mol
LogP1.81
Rot. Bonds3

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

5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60809570) has the molecular formula C10H9F3N4O2S and a molecular weight of 306.27 g/mol. Its IUPAC name is 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID60809570
Molecular FormulaC10H9F3N4O2S
Molecular Weight306.27 g/mol
Exact Mass306.04
IUPAC Name5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N4O2S/c11-10(12,13)6-2-1-3-7(4-6)17-20(18,19)8-5-15-16-9(8)14/h1-5,17H,(H3,14,15,16)
InChIKeyKEIVPUCHYABHSE-UHFFFAOYSA-N
XLogP1.81
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645339
N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645372
N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645901
4-(1H-pyrazol-5-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 70908233
N-[2,4-difluoro-3-[(E)-3-methyl-4-[5-(methylideneamino)-1H-pyrazol-4-yl]but-3-en-1-ynyl]phenyl]-2,6-difluorobenzenesulfonamide
CID 138700309
N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
CID 141365948
2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 25037539
3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 25041480
3,4-difluoro-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 38751277
4-fluoro-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 38751299
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 45833297
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 47356709

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 60809570) is 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is KEIVPUCHYABHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S/c11-10(12,13)6-2-1-3-7(4-6)17-20(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-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 306.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60809570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).