N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide

C26H19FN4O3S — CID 58975211

IUPACN-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ncccn3)c3ccccc32)cc1
InChIInChI=1S/C26H19FN4O3S/c27-20-10-6-18(7-11-20)16-30-26(32)19-8-12-21(13-9-19)35(33,34)31-17-23(25-28-14-3-15-29-25)22-4-1-2-5-24(22)31/h1-15,17H,16H2,(H,30,32)
InChIKeyBUFYOYKNSWFUOW-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.40
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide

N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide (PubChem CID 58975211) has the molecular formula C26H19FN4O3S and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide
PubChem CID58975211
Molecular FormulaC26H19FN4O3S
Molecular Weight486.53 g/mol
Exact Mass486.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ncccn3)c3ccccc32)cc1
InChIInChI=1S/C26H19FN4O3S/c27-20-10-6-18(7-11-20)16-30-26(32)19-8-12-21(13-9-19)35(33,34)31-17-23(25-28-14-3-15-29-25)22-4-1-2-5-24(22)31/h1-15,17H,16H2,(H,30,32)
InChIKeyBUFYOYKNSWFUOW-UHFFFAOYSA-N
XLogP4.40
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide (CID 58975211) is N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide is O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ncccn3)c3ccccc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide?
The InChIKey is BUFYOYKNSWFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3S/c27-20-10-6-18(7-11-20)16-30-26(32)19-8-12-21(13-9-19)35(33,34)31-17-23(25-28-14-3-15-29-25)22-4-1-2-5-24(22)31/h1-15,17H,16H2,(H,30,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide has a molecular weight of 486.53 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(3-pyrimidin-2-ylindol-1-yl)sulfonylbenzamide is sourced from PubChem (CID 58975211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).