4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

C16H15FN4O3S — CID 6539629

IUPAC4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCOc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1F
InChIInChI=1S/C16H15FN4O3S/c1-24-15-7-2-10(8-13(15)17)14-9-16(21-20-14)19-11-3-5-12(6-4-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyUYJJLRIXIZKXPQ-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.62
Rot. Bonds5

About 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539629) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539629
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESCOc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1F
InChIInChI=1S/C16H15FN4O3S/c1-24-15-7-2-10(8-13(15)17)14-9-16(21-20-14)19-11-3-5-12(6-4-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeyUYJJLRIXIZKXPQ-UHFFFAOYSA-N
XLogP2.62
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539629) is 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is COc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)cc1F.
What is the InChIKey of 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is UYJJLRIXIZKXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c1-24-15-7-2-10(8-13(15)17)14-9-16(21-20-14)19-11-3-5-12(6-4-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 362.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).