N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H10F2N4O2S — CID 81314435

IUPACN-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C10H10F2N4O2S/c1-5-9(4-14-15-5)19(17,18)16-10-7(12)2-6(11)3-8(10)13/h2-4,16H,13H2,1H3,(H,14,15)
InChIKeyRSOZYAVTJRNDKM-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.38
Rot. Bonds3

About N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 81314435) has the molecular formula C10H10F2N4O2S and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID81314435
Molecular FormulaC10H10F2N4O2S
Molecular Weight288.28 g/mol
Exact Mass288.05
IUPAC NameN-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C10H10F2N4O2S/c1-5-9(4-14-15-5)19(17,18)16-10-7(12)2-6(11)3-8(10)13/h2-4,16H,13H2,1H3,(H,14,15)
InChIKeyRSOZYAVTJRNDKM-UHFFFAOYSA-N
XLogP1.38
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.38
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-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
N-(2-amino-4,6-difluorophenyl)-4-fluorobenzenesulfonamide
CID 81314823
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809
N-(2-amino-4,6-difluorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413990
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 62086051

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 81314435) is N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1c(N)cc(F)cc1F.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RSOZYAVTJRNDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2S/c1-5-9(4-14-15-5)19(17,18)16-10-7(12)2-6(11)3-8(10)13/h2-4,16H,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 288.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 81314435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).