5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride

C19H21ClFN3O3S — CID 141059689

IUPAC5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc(N2CCNCC2)c2occc2c1.Cl
InChIInChI=1S/C19H20FN3O3S.ClH/c1-13-2-3-15(20)11-18(13)27(24,25)22-16-10-14-4-9-26-19(14)17(12-16)23-7-5-21-6-8-23;/h2-4,9-12,21-22H,5-8H2,1H3;1H
InChIKeyWFVAXHSSVXMESU-UHFFFAOYSA-N
MW425.91 g/mol
LogP3.51
Rot. Bonds4

About 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride

5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride (PubChem CID 141059689) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
PubChem CID141059689
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC Name5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cc(N2CCNCC2)c2occc2c1.Cl
InChIInChI=1S/C19H20FN3O3S.ClH/c1-13-2-3-15(20)11-18(13)27(24,25)22-16-10-14-4-9-26-19(14)17(12-16)23-7-5-21-6-8-23;/h2-4,9-12,21-22H,5-8H2,1H3;1H
InChIKeyWFVAXHSSVXMESU-UHFFFAOYSA-N
XLogP3.51
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride (CID 141059689) is 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride is Cc1ccc(F)cc1S(=O)(=O)Nc1cc(N2CCNCC2)c2occc2c1.Cl.
What is the InChIKey of 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
The InChIKey is WFVAXHSSVXMESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S.ClH/c1-13-2-3-15(20)11-18(13)27(24,25)22-16-10-14-4-9-26-19(14)17(12-16)23-7-5-21-6-8-23;/h2-4,9-12,21-22H,5-8H2,1H3;1H.
What are the key properties of 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride?
5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride has a molecular weight of 425.91 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(7-piperazin-1-yl-1-benzofuran-5-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 141059689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).