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

C14H17NO5S — CID 8817788

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1OC
InChIInChI=1S/C14H17NO5S/c1-10(12-5-4-8-20-12)15-21(16,17)11-6-7-13(18-2)14(9-11)19-3/h4-10,15H,1-3H3/t10-/m0/s1
InChIKeyIRACZFASUBIZNI-JTQLQIEISA-N
MW311.36 g/mol
LogP2.34
Rot. Bonds6

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

N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 8817788) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID8817788
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1OC
InChIInChI=1S/C14H17NO5S/c1-10(12-5-4-8-20-12)15-21(16,17)11-6-7-13(18-2)14(9-11)19-3/h4-10,15H,1-3H3/t10-/m0/s1
InChIKeyIRACZFASUBIZNI-JTQLQIEISA-N
XLogP2.34
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8817620
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696
3,4-difluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817807
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
4-chloro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817386
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
N-[1-(furan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110731592
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421881
N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110731612

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 8817788) is N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1OC.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is IRACZFASUBIZNI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17NO5S/c1-10(12-5-4-8-20-12)15-21(16,17)11-6-7-13(18-2)14(9-11)19-3/h4-10,15H,1-3H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 8817788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).