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

C21H16ClN3O3S — CID 78781336

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)13-10-11-16(22)15(12-13)21(26)25-17-7-3-2-6-14(17)20-23-18-8-4-5-9-19(18)24-20/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyPJYVLERZLXMBHK-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.54
Rot. Bonds4

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

N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide (PubChem CID 78781336) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
PubChem CID78781336
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)13-10-11-16(22)15(12-13)21(26)25-17-7-3-2-6-14(17)20-23-18-8-4-5-9-19(18)24-20/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyPJYVLERZLXMBHK-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-methylsulfonylbenzamide
CID 78792274
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
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
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 59191080
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
ethyl 4-[4-[[2-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 4283004
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide (CID 78781336) is N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The InChIKey is PJYVLERZLXMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-29(27,28)13-10-11-16(22)15(12-13)21(26)25-17-7-3-2-6-14(17)20-23-18-8-4-5-9-19(18)24-20/h2-12H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
N-[2-(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-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide is sourced from PubChem (CID 78781336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).