2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid

C14H21NO5S — CID 61395257

IUPAC2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C14H21NO5S/c1-5-8(2)10(4)15-21(19,20)13-7-11(14(17)18)12(16)6-9(13)3/h6-8,10,15-16H,5H2,1-4H3,(H,17,18)
InChIKeyKIFVCHKHEZZROV-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.11
Rot. Bonds6

About 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid

2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid (PubChem CID 61395257) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
PubChem CID61395257
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(C(=O)O)c(O)cc1C
InChIInChI=1S/C14H21NO5S/c1-5-8(2)10(4)15-21(19,20)13-7-11(14(17)18)12(16)6-9(13)3/h6-8,10,15-16H,5H2,1-4H3,(H,17,18)
InChIKeyKIFVCHKHEZZROV-UHFFFAOYSA-N
XLogP2.11
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.11
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-(hexan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62199832
5-(1-cyanopropan-2-ylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62093728
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216
2,4-dimethyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053867
2-hydroxy-4-methyl-5-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61403390
5-(3-aminopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62268095
5-(2-cyanopropylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
CID 62666189
2-hydroxy-4-methyl-5-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 63966404
5-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 107215536
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463662
2-hydroxy-4-methyl-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83004727

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid (CID 61395257) is 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid is CCC(C)C(C)NS(=O)(=O)c1cc(C(=O)O)c(O)cc1C.
What is the InChIKey of 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid?
The InChIKey is KIFVCHKHEZZROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-5-8(2)10(4)15-21(19,20)13-7-11(14(17)18)12(16)6-9(13)3/h6-8,10,15-16H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid?
2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid has a molecular weight of 315.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 61395257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).