N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide

C18H20N2O3S — CID 86803128

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide
SMILESCc1ccc(CN(C)C)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O3S/c1-13-8-9-14(12-20(2)3)10-16(13)19-24(21,22)18-11-15-6-4-5-7-17(15)23-18/h4-11,19H,12H2,1-3H3
InChIKeyGASURBWQVPPXRM-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.60
Rot. Bonds5

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide (PubChem CID 86803128) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide
PubChem CID86803128
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide
SMILESCc1ccc(CN(C)C)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O3S/c1-13-8-9-14(12-20(2)3)10-16(13)19-24(21,22)18-11-15-6-4-5-7-17(15)23-18/h4-11,19H,12H2,1-3H3
InChIKeyGASURBWQVPPXRM-UHFFFAOYSA-N
XLogP3.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
CID 154864109
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 91650299
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-fluorobenzenesulfonamide
CID 91650300
N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide
CID 86779062
N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide
CID 155551049
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
CID 75387478
N-[(2S)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-sulfonamide
CID 97239979
N-[2-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]disulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
CID 86667125
3-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfonyl-N,N-dimethylpropanamide
CID 67972691
N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970119
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 26657128

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide (CID 86803128) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide is Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is GASURBWQVPPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-8-9-14(12-20(2)3)10-16(13)19-24(21,22)18-11-15-6-4-5-7-17(15)23-18/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 86803128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).