N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide

C21H16ClN3O3S — CID 78803455

IUPACN-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)16-10-11-18(22)17(12-16)21(26)24-14-6-8-15(9-7-14)25-13-23-19-4-2-3-5-20(19)25/h2-13H,1H3,(H,24,26)
InChIKeyQUHQSKSPJLRWKQ-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.33
Rot. Bonds4

About N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide

N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide (PubChem CID 78803455) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
PubChem CID78803455
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-29(27,28)16-10-11-18(22)17(12-16)21(26)24-14-6-8-15(9-7-14)25-13-23-19-4-2-3-5-20(19)25/h2-13H,1H3,(H,24,26)
InChIKeyQUHQSKSPJLRWKQ-UHFFFAOYSA-N
XLogP4.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
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N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
2-chloro-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-(methylsulfamoyl)benzamide
CID 166215814
2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
CID 23938449
2-chloro-5-methylsulfonyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 30753430
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112
2-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methylsulfonylbenzamide
CID 34168356
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide (CID 78803455) is N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
The InChIKey is QUHQSKSPJLRWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-29(27,28)16-10-11-18(22)17(12-16)21(26)24-14-6-8-15(9-7-14)25-13-23-19-4-2-3-5-20(19)25/h2-13H,1H3,(H,24,26).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide?
N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide has a molecular weight of 425.90 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide is sourced from PubChem (CID 78803455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).