N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide

C19H15FN4O4S — CID 154863696

IUPACN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n[nH]2)c1
InChIInChI=1S/C19H15FN4O4S/c1-10-3-6-15(20)14(7-10)16-9-17(22-21-16)23-29(27,28)11-4-5-12-13(8-11)19(26)24(2)18(12)25/h3-9H,1-2H3,(H2,21,22,23)
InChIKeyPRBFZSDMKGEKAR-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.55
Rot. Bonds4

About N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide

N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 154863696) has the molecular formula C19H15FN4O4S and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
PubChem CID154863696
Molecular FormulaC19H15FN4O4S
Molecular Weight414.42 g/mol
Exact Mass414.08
IUPAC NameN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n[nH]2)c1
InChIInChI=1S/C19H15FN4O4S/c1-10-3-6-15(20)14(7-10)16-9-17(22-21-16)23-29(27,28)11-4-5-12-13(8-11)19(26)24(2)18(12)25/h3-9H,1-2H3,(H2,21,22,23)
InChIKeyPRBFZSDMKGEKAR-UHFFFAOYSA-N
XLogP2.55
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide (CID 154863696) is N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide is Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n[nH]2)c1.
What is the InChIKey of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is PRBFZSDMKGEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4S/c1-10-3-6-15(20)14(7-10)16-9-17(22-21-16)23-29(27,28)11-4-5-12-13(8-11)19(26)24(2)18(12)25/h3-9H,1-2H3,(H2,21,22,23).
What are the key properties of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide?
N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 414.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-2-methyl-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 154863696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).