5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid

C14H21NO5S — CID 62199832

IUPAC5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
SMILESCCCCC(C)NS(=O)(=O)c1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C14H21NO5S/c1-4-5-6-10(3)15-21(19,20)13-8-11(14(17)18)12(16)7-9(13)2/h7-8,10,15-16H,4-6H2,1-3H3,(H,17,18)
InChIKeyVNSBRNWKHZKJDI-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.26
Rot. Bonds7

About 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid

5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid (PubChem CID 62199832) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
PubChem CID62199832
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
SMILESCCCCC(C)NS(=O)(=O)c1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C14H21NO5S/c1-4-5-6-10(3)15-21(19,20)13-8-11(14(17)18)12(16)7-9(13)2/h7-8,10,15-16H,4-6H2,1-3H3,(H,17,18)
InChIKeyVNSBRNWKHZKJDI-UHFFFAOYSA-N
XLogP2.26
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094
5-(1-cyanopropan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62093728
2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395257
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105
5-(4-methoxybutan-2-ylsulfamoyl)-2,4-dimethylbenzoic acid
CID 64604818
5-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 107215536
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
2-hydroxy-4-methyl-5-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61403390
5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62268095
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933

Frequently Asked Questions

What is the IUPAC name of 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid (CID 62199832) is 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid is CCCCC(C)NS(=O)(=O)c1cc(C(=O)O)c(O)cc1C.
What is the InChIKey of 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The InChIKey is VNSBRNWKHZKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-4-5-6-10(3)15-21(19,20)13-8-11(14(17)18)12(16)7-9(13)2/h7-8,10,15-16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid has a molecular weight of 315.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 62199832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).