2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide

C16H21N3O3S — CID 113081563

IUPAC2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C16H21N3O3S/c1-11-7-8-14(22-2)15(9-11)23(20,21)17-10-16-18-12-5-3-4-6-13(12)19-16/h7-9,17H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyAOVWFHPLCCHYCH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.08
Rot. Bonds5

About 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 113081563) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
PubChem CID113081563
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C16H21N3O3S/c1-11-7-8-14(22-2)15(9-11)23(20,21)17-10-16-18-12-5-3-4-6-13(12)19-16/h7-9,17H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyAOVWFHPLCCHYCH-UHFFFAOYSA-N
XLogP2.08
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081564
3-chloro-4-methoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081575
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
4-propan-2-yl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide
CID 113081556
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
[4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923697
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799
2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714688
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
2-methoxy-5-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084395

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide (CID 113081563) is 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is AOVWFHPLCCHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11-7-8-14(22-2)15(9-11)23(20,21)17-10-16-18-12-5-3-4-6-13(12)19-16/h7-9,17H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113081563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).