3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide

C15H14FN3O4S — CID 53349725

IUPAC3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c3[nH]cnc23)cc1F
InChIInChI=1S/C15H14FN3O4S/c1-22-12-5-3-9(7-10(12)16)24(20,21)19-11-4-6-13(23-2)15-14(11)17-8-18-15/h3-8,19H,1-2H3,(H,17,18)
InChIKeyVMTXHLRPZSGDMX-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.52
Rot. Bonds5

About 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide

3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide (PubChem CID 53349725) has the molecular formula C15H14FN3O4S and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide
PubChem CID53349725
Molecular FormulaC15H14FN3O4S
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC Name3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c3[nH]cnc23)cc1F
InChIInChI=1S/C15H14FN3O4S/c1-22-12-5-3-9(7-10(12)16)24(20,21)19-11-4-6-13(23-2)15-14(11)17-8-18-15/h3-8,19H,1-2H3,(H,17,18)
InChIKeyVMTXHLRPZSGDMX-UHFFFAOYSA-N
XLogP2.52
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide (CID 53349725) is 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC)c3[nH]cnc23)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide?
The InChIKey is VMTXHLRPZSGDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4S/c1-22-12-5-3-9(7-10(12)16)24(20,21)19-11-4-6-13(23-2)15-14(11)17-8-18-15/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide has a molecular weight of 351.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 53349725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).