5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid

C14H21NO5S — CID 104655119

IUPAC5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(C(=O)O)c(C)cc1C
InChIInChI=1S/C14H21NO5S/c1-9-6-10(2)12(7-11(9)13(16)17)21(18,19)15-8-14(3,4)20-5/h6-7,15H,8H2,1-5H3,(H,16,17)
InChIKeyGAHSGAWQJXNFLC-UHFFFAOYSA-N
MW315.39 g/mol
LogP1.70
Rot. Bonds6

About 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid

5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid (PubChem CID 104655119) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid
PubChem CID104655119
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(C(=O)O)c(C)cc1C
InChIInChI=1S/C14H21NO5S/c1-9-6-10(2)12(7-11(9)13(16)17)21(18,19)15-8-14(3,4)20-5/h6-7,15H,8H2,1-5H3,(H,16,17)
InChIKeyGAHSGAWQJXNFLC-UHFFFAOYSA-N
XLogP1.70
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[(2-methoxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 104758551
3-fluoro-5-[(2-methoxy-2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
CID 104655092
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
5-(4-methoxybutan-2-ylsulfamoyl)-2,4-dimethylbenzoic acid
CID 64604818
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
5-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 107215536
2,4-dimethyl-5-(2-methylpropoxysulfamoyl)benzoic acid
CID 82706185
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 79237151
4-amino-N-(2-methoxy-2-methylpropyl)-2-methyl-5-nitrobenzenesulfonamide
CID 104765425
5-(furan-3-ylmethylsulfamoyl)-2,4-dimethylbenzoic acid
CID 115588805
5-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 43545490

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid?
The IUPAC name of 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid (CID 104655119) is 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid.
What is the SMILES notation for 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid?
The canonical SMILES for 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid is COC(C)(C)CNS(=O)(=O)c1cc(C(=O)O)c(C)cc1C.
What is the InChIKey of 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid?
The InChIKey is GAHSGAWQJXNFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-9-6-10(2)12(7-11(9)13(16)17)21(18,19)15-8-14(3,4)20-5/h6-7,15H,8H2,1-5H3,(H,16,17).
What are the key properties of 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid?
5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid has a molecular weight of 315.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-2-methylpropyl)sulfamoyl]-2,4-dimethylbenzoic acid is sourced from PubChem (CID 104655119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).