4-(1-methylbenzimidazol-2-yl)benzenesulfonamide

C14H13N3O2S — CID 67472718

IUPAC4-(1-methylbenzimidazol-2-yl)benzenesulfonamide
SMILESCn1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21
InChIInChI=1S/C14H13N3O2S/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(9-7-10)20(15,18)19/h2-9H,1H3,(H2,15,18,19)
InChIKeyUZBPCVPOPGJNCI-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.89
Rot. Bonds2

About 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide

4-(1-methylbenzimidazol-2-yl)benzenesulfonamide (PubChem CID 67472718) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)benzenesulfonamide
PubChem CID67472718
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-(1-methylbenzimidazol-2-yl)benzenesulfonamide
SMILESCn1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21
InChIInChI=1S/C14H13N3O2S/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(9-7-10)20(15,18)19/h2-9H,1H3,(H2,15,18,19)
InChIKeyUZBPCVPOPGJNCI-UHFFFAOYSA-N
XLogP1.89
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylbenzimidazole-5-Sulfonic Acid
CID 33919
Grapiprant
CID 11677589
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine
CID 1088438
Enviradene
CID 6435398
4-[2-(Benzimidazol-1-Yl)ethanoyl]benzenesulfonamide
CID 127045752
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole
CID 804705
1-Benzyl-2-phenylbenzimidazole
CID 1221687
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
2-Methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 755364
1-Benzyl-2-methylbenzimidazole
CID 759305
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide (CID 67472718) is 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide is Cn1c(-c2ccc(S(N)(=O)=O)cc2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide?
The InChIKey is UZBPCVPOPGJNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(9-7-10)20(15,18)19/h2-9H,1H3,(H2,15,18,19).
What are the key properties of 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide?
4-(1-methylbenzimidazol-2-yl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 67472718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).