N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide

C15H15N3O2S — CID 939877

IUPACN-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C15H15N3O2S/c1-11-16-14-10-12(8-9-15(14)18(11)2)17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,1-2H3
InChIKeyFCZNYBMEBHHJQK-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.68
Rot. Bonds3

About N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide

N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide (PubChem CID 939877) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide
PubChem CID939877
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1C
InChIInChI=1S/C15H15N3O2S/c1-11-16-14-10-12(8-9-15(14)18(11)2)17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,1-2H3
InChIKeyFCZNYBMEBHHJQK-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide (CID 939877) is N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide is Cc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is FCZNYBMEBHHJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-16-14-10-12(8-9-15(14)18(11)2)17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,1-2H3.
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide?
N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 939877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).