N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

C18H19NO5S — CID 9189772

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C18H19NO5S/c1-12(17-10-13-6-4-5-7-15(13)24-17)19-25(20,21)14-8-9-16(22-2)18(11-14)23-3/h4-12,19H,1-3H3/t12-/m0/s1
InChIKeyMWYVJOQKWPFUGE-LBPRGKRZSA-N
MW361.42 g/mol
LogP3.49
Rot. Bonds6

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 9189772) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID9189772
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C18H19NO5S/c1-12(17-10-13-6-4-5-7-15(13)24-17)19-25(20,21)14-8-9-16(22-2)18(11-14)23-3/h4-12,19H,1-3H3/t12-/m0/s1
InChIKeyMWYVJOQKWPFUGE-LBPRGKRZSA-N
XLogP3.49
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 124760523
3-N-[1-(1-benzofuran-2-yl)ethyl]benzene-1,3-disulfonamide
CID 86916872
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
CID 9189690
N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 134953908
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide
CID 9189709
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 9189706
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide
CID 9189725
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 9189772) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is MWYVJOQKWPFUGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12(17-10-13-6-4-5-7-15(13)24-17)19-25(20,21)14-8-9-16(22-2)18(11-14)23-3/h4-12,19H,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 9189772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).