N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide

C15H15N3O2S — CID 79013941

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O2S/c1-11-6-2-5-9-14(11)21(19,20)16-10-15-17-12-7-3-4-8-13(12)18-15/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyUOXYJSYHAXOESD-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.35
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide (PubChem CID 79013941) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
PubChem CID79013941
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O2S/c1-11-6-2-5-9-14(11)21(19,20)16-10-15-17-12-7-3-4-8-13(12)18-15/h2-9,16H,10H2,1H3,(H,17,18)
InChIKeyUOXYJSYHAXOESD-UHFFFAOYSA-N
XLogP2.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-4-tert-butylbenzenesulfonamide
CID 110711606
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichlorothiophene-3-sulfonamide
CID 78991619
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481
N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-(4-methylanilino)phthalazin-1-yl]benzenesulfonamide;hydrochloride
CID 163329207
ethyl 3-(1H-benzimidazol-2-ylmethylsulfamoyl)propanoate
CID 78991615
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106150581
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide (CID 79013941) is N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide?
The InChIKey is UOXYJSYHAXOESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-6-2-5-9-14(11)21(19,20)16-10-15-17-12-7-3-4-8-13(12)18-15/h2-9,16H,10H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79013941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).