(5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid

C16H17NO6S — CID 67789350

IUPAC(5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid
SMILESCc1ccc(O)cc1S(=O)(=O)N(CCOc1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO6S/c1-12-7-8-13(18)11-15(12)24(21,22)17(16(19)20)9-10-23-14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyNVXRUHSNFJUBIG-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.45
Rot. Bonds6

About (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid

(5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid (PubChem CID 67789350) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid.

Molecular Properties

Compound Name(5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid
PubChem CID67789350
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name(5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid
SMILESCc1ccc(O)cc1S(=O)(=O)N(CCOc1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO6S/c1-12-7-8-13(18)11-15(12)24(21,22)17(16(19)20)9-10-23-14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyNVXRUHSNFJUBIG-UHFFFAOYSA-N
XLogP2.45
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-(5-hydroxy-2-methylphenyl)sulfonylcarbamic acid
CID 67789240
5-hydroxy-N,N,2-trimethylbenzenesulfonamide
CID 21127023
2-methyl-5-(2-phenoxyethoxy)benzoic acid
CID 59058014
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 33172341
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
bis[4-(carboxymethoxy)phenyl]-methyl-phenylphosphanium;5-hydroxy-2-methylbenzenesulfonate
CID 88636391
3-(3-ethylsulfonylpropoxy)phenol
CID 65097968
3,4-dimethylphenol;4-hydroxyphthalic acid;4-(2-phenoxyethoxy)phthalic acid;propoxybenzene
CID 159585688
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid?
The IUPAC name of (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid (CID 67789350) is (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid.
What is the SMILES notation for (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid?
The canonical SMILES for (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid is Cc1ccc(O)cc1S(=O)(=O)N(CCOc1ccccc1)C(=O)O.
What is the InChIKey of (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid?
The InChIKey is NVXRUHSNFJUBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-12-7-8-13(18)11-15(12)24(21,22)17(16(19)20)9-10-23-14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid?
(5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid has a molecular weight of 351.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methylphenyl)sulfonyl-(2-phenoxyethyl)carbamic acid is sourced from PubChem (CID 67789350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).