N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

C26H19FN4O3S — CID 2331994

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H19FN4O3S/c27-18-11-15-20(16-12-18)35(33,34)31-22-6-2-1-5-21(22)26(32)28-19-13-9-17(10-14-19)25-29-23-7-3-4-8-24(23)30-25/h1-16,31H,(H,28,32)(H,29,30)
InChIKeyBEHYGSJDWJNPTA-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.42
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 2331994) has the molecular formula C26H19FN4O3S and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID2331994
Molecular FormulaC26H19FN4O3S
Molecular Weight486.53 g/mol
Exact Mass486.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H19FN4O3S/c27-18-11-15-20(16-12-18)35(33,34)31-22-6-2-1-5-21(22)26(32)28-19-13-9-17(10-14-19)25-29-23-7-3-4-8-24(23)30-25/h1-16,31H,(H,28,32)(H,29,30)
InChIKeyBEHYGSJDWJNPTA-UHFFFAOYSA-N
XLogP5.42
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 2331994) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is BEHYGSJDWJNPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3S/c27-18-11-15-20(16-12-18)35(33,34)31-22-6-2-1-5-21(22)26(32)28-19-13-9-17(10-14-19)25-29-23-7-3-4-8-24(23)30-25/h1-16,31H,(H,28,32)(H,29,30).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 486.53 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2331994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).