4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide

C15H14FN3O2S — CID 3160828

IUPAC4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2[nH]1
InChIInChI=1S/C15H14FN3O2S/c1-9-7-12(4-5-13(9)16)22(20,21)19-11-3-6-14-15(8-11)18-10(2)17-14/h3-8,19H,1-2H3,(H,17,18)
InChIKeyKQUNSNXREXUAEP-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.12
Rot. Bonds3

About 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 3160828) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID3160828
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2[nH]1
InChIInChI=1S/C15H14FN3O2S/c1-9-7-12(4-5-13(9)16)22(20,21)19-11-3-6-14-15(8-11)18-10(2)17-14/h3-8,19H,1-2H3,(H,17,18)
InChIKeyKQUNSNXREXUAEP-UHFFFAOYSA-N
XLogP3.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 3160828) is 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is Cc1nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2[nH]1.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is KQUNSNXREXUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-9-7-12(4-5-13(9)16)22(20,21)19-11-3-6-14-15(8-11)18-10(2)17-14/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 319.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3160828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).