5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide

C10H11FN4O2S — CID 80646555

IUPAC5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccn[nH]2)c1F
InChIInChI=1S/C10H11FN4O2S/c1-6-4-7(12)5-8(10(6)11)18(16,17)15-9-2-3-13-14-9/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyXBXXFXKPGQIQAB-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide

5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 80646555) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID80646555
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccn[nH]2)c1F
InChIInChI=1S/C10H11FN4O2S/c1-6-4-7(12)5-8(10(6)11)18(16,17)15-9-2-3-13-14-9/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyXBXXFXKPGQIQAB-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

5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 80646356
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 103077395
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
CID 80645994
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393048

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 80646555) is 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccn[nH]2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is XBXXFXKPGQIQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-4-7(12)5-8(10(6)11)18(16,17)15-9-2-3-13-14-9/h2-5H,12H2,1H3,(H2,13,14,15).
What are the key properties of 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide?
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide 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 5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 80646555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).