N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide

C14H15NO4S — CID 90129375

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C14H15NO4S/c16-13-7-6-11(10-14(13)17)8-9-15-20(18,19)12-4-2-1-3-5-12/h1-7,10,15-17H,8-9H2
InChIKeyZFVOWCPQRJQSKX-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide

N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 90129375) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID90129375
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C14H15NO4S/c16-13-7-6-11(10-14(13)17)8-9-15-20(18,19)12-4-2-1-3-5-12/h1-7,10,15-17H,8-9H2
InChIKeyZFVOWCPQRJQSKX-UHFFFAOYSA-N
XLogP1.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(benzenesulfonamido)ethyl]phenyl]acetamide
CID 54332606
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide
CID 139687321
[[4-[2-(benzenesulfonamido)ethyl]-2-bromophenyl]-difluoromethyl]phosphonic acid
CID 11677150
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
[3-(2-phenylethylsulfamoyl)phenyl]boronic acid
CID 86039072
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide (CID 90129375) is N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is ZFVOWCPQRJQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c16-13-7-6-11(10-14(13)17)8-9-15-20(18,19)12-4-2-1-3-5-12/h1-7,10,15-17H,8-9H2.
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90129375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).