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

C15H14FN3O2S — CID 35385353

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FN3O2S/c1-19(22(20,21)14-9-5-2-6-11(14)16)10-15-17-12-7-3-4-8-13(12)18-15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIUSFQYOXDKSMDT-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.52
Rot. Bonds4

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

N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 35385353) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID35385353
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FN3O2S/c1-19(22(20,21)14-9-5-2-6-11(14)16)10-15-17-12-7-3-4-8-13(12)18-15/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIUSFQYOXDKSMDT-UHFFFAOYSA-N
XLogP2.52
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
CID 35385409
N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 35385383
N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 35385421
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
CID 143860184
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-4-hydroxy-N-methylbenzamide
CID 154841203
2-[[methyl-[(1-oxothiolan-1-ylidene)amino]sulfonylamino]methyl]-1H-benzimidazole
CID 126823525
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
trisilver;bis(1-(1H-benzimidazol-2-yl)-N,N-bis(1H-benzimidazol-2-ylmethyl)methanamine);tris(trifluoromethanesulfonate)
CID 139153801
2-[[methyl(naphthalen-1-ylsulfonyl)amino]methyl]-1H-benzimidazole-4-carboxylic acid
CID 58101843

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide (CID 35385353) is N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide is CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is IUSFQYOXDKSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-19(22(20,21)14-9-5-2-6-11(14)16)10-15-17-12-7-3-4-8-13(12)18-15/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 319.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 35385353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).