4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C18H19NO5S — CID 166194923

IUPAC4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C18H19NO5S/c1-19(14-6-8-15(20)9-7-14)25(23,24)17-11-13(18(21)22)10-12-4-2-3-5-16(12)17/h6-11,20H,2-5H2,1H3,(H,21,22)
InChIKeyZSLXCKKWQOZKSJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.79
Rot. Bonds4

About 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 166194923) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID166194923
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C18H19NO5S/c1-19(14-6-8-15(20)9-7-14)25(23,24)17-11-13(18(21)22)10-12-4-2-3-5-16(12)17/h6-11,20H,2-5H2,1H3,(H,21,22)
InChIKeyZSLXCKKWQOZKSJ-UHFFFAOYSA-N
XLogP2.79
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid
CID 86807747
4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 10679284
7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121307
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
3-(2,5-dioxopyrrolidin-1-yl)-5-[methyl(phenyl)sulfamoyl]-4-sulfanylbenzoic acid
CID 22766967
4-[(2-fluoro-3-methylphenyl)sulfonyl-methylamino]benzoic acid
CID 138044023
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2369671
4-bromo-3-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934697
5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733405
3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733368
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 166194923) is 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is CN(c1ccc(O)cc1)S(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2.
What is the InChIKey of 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is ZSLXCKKWQOZKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-19(14-6-8-15(20)9-7-14)25(23,24)17-11-13(18(21)22)10-12-4-2-3-5-16(12)17/h6-11,20H,2-5H2,1H3,(H,21,22).
What are the key properties of 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-methylsulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 166194923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).