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

C27H21FN4O3S — CID 2361995

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C27H21FN4O3S/c1-17-16-18(28)14-15-25(17)36(34,35)32-22-11-5-3-9-20(22)27(33)31-21-10-4-2-8-19(21)26-29-23-12-6-7-13-24(23)30-26/h2-16,32H,1H3,(H,29,30)(H,31,33)
InChIKeyCZXNCDNJBVBOJX-UHFFFAOYSA-N
MW500.56 g/mol
LogP5.73
Rot. Bonds6

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

N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide (PubChem CID 2361995) has the molecular formula C27H21FN4O3S and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
PubChem CID2361995
Molecular FormulaC27H21FN4O3S
Molecular Weight500.56 g/mol
Exact Mass500.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C27H21FN4O3S/c1-17-16-18(28)14-15-25(17)36(34,35)32-22-11-5-3-9-20(22)27(33)31-21-10-4-2-8-19(21)26-29-23-12-6-7-13-24(23)30-26/h2-16,32H,1H3,(H,29,30)(H,31,33)
InChIKeyCZXNCDNJBVBOJX-UHFFFAOYSA-N
XLogP5.73
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide (CID 2361995) is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
The InChIKey is CZXNCDNJBVBOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O3S/c1-17-16-18(28)14-15-25(17)36(34,35)32-22-11-5-3-9-20(22)27(33)31-21-10-4-2-8-19(21)26-29-23-12-6-7-13-24(23)30-26/h2-16,32H,1H3,(H,29,30)(H,31,33).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide has a molecular weight of 500.56 g/mol, XLogP of 5.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2361995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).