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

C17H18N2O3S — CID 154864109

IUPACN-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
SMILESCN(C)Cc1ccccc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c1-19(2)12-14-8-3-5-9-15(14)18-23(20,21)17-11-13-7-4-6-10-16(13)22-17/h3-11,18H,12H2,1-2H3
InChIKeyKAMULEGVLYHYAU-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.30
Rot. Bonds5

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

N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 154864109) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID154864109
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide
SMILESCN(C)Cc1ccccc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O3S/c1-19(2)12-14-8-3-5-9-15(14)18-23(20,21)17-11-13-7-4-6-10-16(13)22-17/h3-11,18H,12H2,1-2H3
InChIKeyKAMULEGVLYHYAU-UHFFFAOYSA-N
XLogP3.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-benzofuran-2-sulfonamide
CID 86803128
2-[[2-(1-benzofuran-2-ylsulfonylamino)phenyl]sulfanylmethyl]benzoic acid
CID 71714796
ethyl 3-[[2-[[1-benzofuran-2-carbonyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 166324663
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-(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
1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
CID 63665572
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
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-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide (CID 154864109) is N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide is CN(C)Cc1ccccc1NS(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is KAMULEGVLYHYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-19(2)12-14-8-3-5-9-15(14)18-23(20,21)17-11-13-7-4-6-10-16(13)22-17/h3-11,18H,12H2,1-2H3.
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide?
N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 154864109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).