N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide

C10H14ClNO4S — CID 64787721

IUPACN-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO4S/c1-2-16-5-6-17(14,15)12-8-3-4-10(13)9(11)7-8/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeySARFXAUCZOFDFV-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.82
Rot. Bonds6

About N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide

N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide (PubChem CID 64787721) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
PubChem CID64787721
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C10H14ClNO4S/c1-2-16-5-6-17(14,15)12-8-3-4-10(13)9(11)7-8/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeySARFXAUCZOFDFV-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
CID 63246113
4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
CID 63246071
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
2-chloro-4-(ethylsulfamoylamino)phenol
CID 114809196
2-ethoxy-N-(4-formylphenyl)ethanesulfonamide
CID 106912887
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
3,5-dichloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245920
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935
2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 65436088

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide (CID 64787721) is N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide?
The InChIKey is SARFXAUCZOFDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-2-16-5-6-17(14,15)12-8-3-4-10(13)9(11)7-8/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide?
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide has a molecular weight of 279.75 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 64787721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).