[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine

C22H19NO4S — CID 67751602

IUPAC[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C22H19NO4S/c1-26-20-12-11-17(28(24,25)16-8-3-2-4-9-16)14-18(20)22(23)21-13-15-7-5-6-10-19(15)27-21/h2-14,22H,23H2,1H3
InChIKeyFZHXUZNZOBAXAM-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.32
Rot. Bonds5

About [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine

[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine (PubChem CID 67751602) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine
PubChem CID67751602
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1C(N)c1cc2ccccc2o1
InChIInChI=1S/C22H19NO4S/c1-26-20-12-11-17(28(24,25)16-8-3-2-4-9-16)14-18(20)22(23)21-13-15-7-5-6-10-19(15)27-21/h2-14,22H,23H2,1H3
InChIKeyFZHXUZNZOBAXAM-UHFFFAOYSA-N
XLogP4.32
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970
1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
CID 139710624
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
CID 63091845

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine?
The IUPAC name of [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine (CID 67751602) is [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine.
What is the SMILES notation for [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine?
The canonical SMILES for [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine is COc1ccc(S(=O)(=O)c2ccccc2)cc1C(N)c1cc2ccccc2o1.
What is the InChIKey of [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine?
The InChIKey is FZHXUZNZOBAXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-26-20-12-11-17(28(24,25)16-8-3-2-4-9-16)14-18(20)22(23)21-13-15-7-5-6-10-19(15)27-21/h2-14,22H,23H2,1H3.
What are the key properties of [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine?
[5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine has a molecular weight of 393.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonyl)-2-methoxyphenyl]-(1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 67751602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).