3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide

C16H17N3O2S — CID 110785691

IUPAC3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc3nc(C)[nH]c3c2)c1
InChIInChI=1S/C16H17N3O2S/c1-11-4-3-5-14(8-11)22(20,21)17-10-13-6-7-15-16(9-13)19-12(2)18-15/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyBVVGDWDFWNSEDX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.66
Rot. Bonds4

About 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide

3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110785691) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
PubChem CID110785691
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc3nc(C)[nH]c3c2)c1
InChIInChI=1S/C16H17N3O2S/c1-11-4-3-5-14(8-11)22(20,21)17-10-13-6-7-15-16(9-13)19-12(2)18-15/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyBVVGDWDFWNSEDX-UHFFFAOYSA-N
XLogP2.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785688
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
1-(2-hydroxyethyl)-3-[6-[(3-methylphenyl)methylsulfamoyl]-1H-benzimidazol-2-yl]urea
CID 71569569
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide (CID 110785691) is 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc3nc(C)[nH]c3c2)c1.
What is the InChIKey of 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is BVVGDWDFWNSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-4-3-5-14(8-11)22(20,21)17-10-13-6-7-15-16(9-13)19-12(2)18-15/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide?
3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110785691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).