1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate

C23H19FN2O4S — CID 167845938

IUPAC1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate
SMILESO=C(OCc1cccc2[nH]ccc12)c1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN2O4S/c24-19-7-9-20(10-8-19)31(28,29)26-14-16-3-1-4-17(13-16)23(27)30-15-18-5-2-6-22-21(18)11-12-25-22/h1-13,25-26H,14-15H2
InChIKeyQNTFFOMZDDKOBH-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.14
Rot. Bonds7

About 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate

1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate (PubChem CID 167845938) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate.

Molecular Properties

Compound Name1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate
PubChem CID167845938
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate
SMILESO=C(OCc1cccc2[nH]ccc12)c1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN2O4S/c24-19-7-9-20(10-8-19)31(28,29)26-14-16-3-1-4-17(13-16)23(27)30-15-18-5-2-6-22-21(18)11-12-25-22/h1-13,25-26H,14-15H2
InChIKeyQNTFFOMZDDKOBH-UHFFFAOYSA-N
XLogP4.14
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
The IUPAC name of 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate (CID 167845938) is 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate.
What is the SMILES notation for 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
The canonical SMILES for 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate is O=C(OCc1cccc2[nH]ccc12)c1cccc(CNS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
The InChIKey is QNTFFOMZDDKOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c24-19-7-9-20(10-8-19)31(28,29)26-14-16-3-1-4-17(13-16)23(27)30-15-18-5-2-6-22-21(18)11-12-25-22/h1-13,25-26H,14-15H2.
What are the key properties of 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate has a molecular weight of 438.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-ylmethyl 3-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate is sourced from PubChem (CID 167845938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).