N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide

C21H16ClN3O3S — CID 78792274

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)15-9-10-17(22)16(12-15)21(26)23-14-6-4-5-13(11-14)20-24-18-7-2-3-8-19(18)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyYLXXHHQUBMTXSX-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.54
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide (PubChem CID 78792274) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
PubChem CID78792274
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)15-9-10-17(22)16(12-15)21(26)23-14-6-4-5-13(11-14)20-24-18-7-2-3-8-19(18)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
InChIKeyYLXXHHQUBMTXSX-UHFFFAOYSA-N
XLogP4.54
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
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CID 78781336
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,5-dichlorobenzamide
CID 17104294
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993117
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide (CID 78792274) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The InChIKey is YLXXHHQUBMTXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-29(27,28)15-9-10-17(22)16(12-15)21(26)23-14-6-4-5-13(11-14)20-24-18-7-2-3-8-19(18)25-20/h2-12H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide has a molecular weight of 425.90 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide is sourced from PubChem (CID 78792274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).