(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid

C16H17NO6S — CID 67789240

IUPAC(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid
SMILESCCOc1ccc(N(C(=O)O)S(=O)(=O)c2cc(O)ccc2C)cc1
InChIInChI=1S/C16H17NO6S/c1-3-23-14-8-5-12(6-9-14)17(16(19)20)24(21,22)15-10-13(18)7-4-11(15)2/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeySGUDHAPRWODJCW-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.97
Rot. Bonds5

About (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid

(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid (PubChem CID 67789240) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid
PubChem CID67789240
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid
SMILESCCOc1ccc(N(C(=O)O)S(=O)(=O)c2cc(O)ccc2C)cc1
InChIInChI=1S/C16H17NO6S/c1-3-23-14-8-5-12(6-9-14)17(16(19)20)24(21,22)15-10-13(18)7-4-11(15)2/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeySGUDHAPRWODJCW-UHFFFAOYSA-N
XLogP2.97
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
N-[(4-hydroxyphenyl)methyl]-2,5-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137427
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042
4-ethoxy-N-(3-hydroxyphenyl)-N-methylsulfonylbenzamide
CID 47602187
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
CID 19211344
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 19219517
4-ethoxyphenol isocyanate
CID 20557311
4-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid?
The IUPAC name of (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid (CID 67789240) is (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid.
What is the SMILES notation for (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid?
The canonical SMILES for (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid is CCOc1ccc(N(C(=O)O)S(=O)(=O)c2cc(O)ccc2C)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid?
The InChIKey is SGUDHAPRWODJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-3-23-14-8-5-12(6-9-14)17(16(19)20)24(21,22)15-10-13(18)7-4-11(15)2/h4-10,18H,3H2,1-2H3,(H,19,20).
What are the key properties of (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid?
(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid has a molecular weight of 351.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid is sourced from PubChem (CID 67789240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).