2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

C15H13F2N3O2S — CID 78809672

IUPAC2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1c(CNS(=O)(=O)c2c(F)cccc2F)nc2ccccc21
InChIInChI=1S/C15H13F2N3O2S/c1-20-13-8-3-2-7-12(13)19-14(20)9-18-23(21,22)15-10(16)5-4-6-11(15)17/h2-8,18H,9H2,1H3
InChIKeyIJOMTDDBQHFYBL-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.33
Rot. Bonds4

About 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide

2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 78809672) has the molecular formula C15H13F2N3O2S and a molecular weight of 337.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID78809672
Molecular FormulaC15H13F2N3O2S
Molecular Weight337.35 g/mol
Exact Mass337.07
IUPAC Name2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
SMILESCn1c(CNS(=O)(=O)c2c(F)cccc2F)nc2ccccc21
InChIInChI=1S/C15H13F2N3O2S/c1-20-13-8-3-2-7-12(13)19-14(20)9-18-23(21,22)15-10(16)5-4-6-11(15)17/h2-8,18H,9H2,1H3
InChIKeyIJOMTDDBQHFYBL-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107598333
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 55689465
4-N-benzyl-4-N-ethyl-1-N-[(1-methylbenzimidazol-2-yl)methyl]benzene-1,4-disulfonamide
CID 1168577
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide (CID 78809672) is 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is Cn1c(CNS(=O)(=O)c2c(F)cccc2F)nc2ccccc21.
What is the InChIKey of 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is IJOMTDDBQHFYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S/c1-20-13-8-3-2-7-12(13)19-14(20)9-18-23(21,22)15-10(16)5-4-6-11(15)17/h2-8,18H,9H2,1H3.
What are the key properties of 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide?
2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 337.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 78809672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).