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

C19H17FN4O3S — CID 154863703

IUPACN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)n[nH]2)c1
InChIInChI=1S/C19H17FN4O3S/c1-11-3-5-15(20)14(7-11)16-10-18(22-21-16)23-28(26,27)13-4-6-17-12(8-13)9-19(25)24(17)2/h3-8,10H,9H2,1-2H3,(H2,21,22,23)
InChIKeyKPYYGYJLWPDLES-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.84
Rot. Bonds4

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

N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 154863703) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID154863703
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC NameN-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)n[nH]2)c1
InChIInChI=1S/C19H17FN4O3S/c1-11-3-5-15(20)14(7-11)16-10-18(22-21-16)23-28(26,27)13-4-6-17-12(8-13)9-19(25)24(17)2/h3-8,10H,9H2,1-2H3,(H2,21,22,23)
InChIKeyKPYYGYJLWPDLES-UHFFFAOYSA-N
XLogP2.84
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 154863703) is N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)n[nH]2)c1.
What is the InChIKey of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is KPYYGYJLWPDLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-11-3-5-15(20)14(7-11)16-10-18(22-21-16)23-28(26,27)13-4-6-17-12(8-13)9-19(25)24(17)2/h3-8,10H,9H2,1-2H3,(H2,21,22,23).
What are the key properties of N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 400.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 154863703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).