N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide

C13H15NO3S2 — CID 58736718

IUPACN-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1sccc1O
InChIInChI=1S/C13H15NO3S2/c1-2-14(10-11-6-4-3-5-7-11)19(16,17)13-12(15)8-9-18-13/h3-9,15H,2,10H2,1H3
InChIKeyBNVXHMLTQMMAKU-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide

N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide (PubChem CID 58736718) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide
PubChem CID58736718
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1sccc1O
InChIInChI=1S/C13H15NO3S2/c1-2-14(10-11-6-4-3-5-7-11)19(16,17)13-12(15)8-9-18-13/h3-9,15H,2,10H2,1H3
InChIKeyBNVXHMLTQMMAKU-UHFFFAOYSA-N
XLogP2.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethylbenzenesulfonamide
CID 668950
3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61062149
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45297292
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-benzyl-N-ethylethenesulfonamide
CID 130543897
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
CID 110410492

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide (CID 58736718) is N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1sccc1O.
What is the InChIKey of N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide?
The InChIKey is BNVXHMLTQMMAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-2-14(10-11-6-4-3-5-7-11)19(16,17)13-12(15)8-9-18-13/h3-9,15H,2,10H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide?
N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-hydroxythiophene-2-sulfonamide is sourced from PubChem (CID 58736718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).