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

C10H11FN4O2S — CID 107334243

IUPACN-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C10H11FN4O2S/c1-6-10(5-13-14-6)18(16,17)15-9-3-7(11)2-8(12)4-9/h2-5,15H,12H2,1H3,(H,13,14)
InChIKeyXDTOQLLXXBWMCC-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

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

N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 107334243) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID107334243
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC NameN-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc(N)cc(F)c1
InChIInChI=1S/C10H11FN4O2S/c1-6-10(5-13-14-6)18(16,17)15-9-3-7(11)2-8(12)4-9/h2-5,15H,12H2,1H3,(H,13,14)
InChIKeyXDTOQLLXXBWMCC-UHFFFAOYSA-N
XLogP1.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449
N-(4-ethoxy-3-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115620973
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 107334243) is N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cc(N)cc(F)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XDTOQLLXXBWMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-10(5-13-14-6)18(16,17)15-9-3-7(11)2-8(12)4-9/h2-5,15H,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107334243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).