5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide

C10H9F3N4O3S — CID 61126289

IUPAC5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C10H9F3N4O3S/c11-6-3-5(1-2-7(6)20-10(12)13)17-21(18,19)8-4-15-16-9(8)14/h1-4,10,17H,(H3,14,15,16)
InChIKeyJGUALPLNFOMENR-UHFFFAOYSA-N
MW322.27 g/mol
LogP1.53
Rot. Bonds5

About 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61126289) has the molecular formula C10H9F3N4O3S and a molecular weight of 322.27 g/mol. Its IUPAC name is 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
PubChem CID61126289
Molecular FormulaC10H9F3N4O3S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC Name5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C10H9F3N4O3S/c11-6-3-5(1-2-7(6)20-10(12)13)17-21(18,19)8-4-15-16-9(8)14/h1-4,10,17H,(H3,14,15,16)
InChIKeyJGUALPLNFOMENR-UHFFFAOYSA-N
XLogP1.53
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide
CID 102691951
N-[4-(difluoromethoxy)-3-fluorophenyl]benzenesulfonamide
CID 60534485
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 63101769
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
5-amino-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 60808101
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide (CID 61126289) is 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is JGUALPLNFOMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O3S/c11-6-3-5(1-2-7(6)20-10(12)13)17-21(18,19)8-4-15-16-9(8)14/h1-4,10,17H,(H3,14,15,16).
What are the key properties of 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 322.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61126289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).