5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid

C12H18N2O5S — CID 82945005

IUPAC5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O5S/c1-8(7-14(2)3)13-20(18,19)9-4-5-11(15)10(6-9)12(16)17/h4-6,8,13,15H,7H2,1-3H3,(H,16,17)
InChIKeyWNOZUYYMFUTDRK-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.32
Rot. Bonds6

About 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid

5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid (PubChem CID 82945005) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
PubChem CID82945005
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid
SMILESCC(CN(C)C)NS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O5S/c1-8(7-14(2)3)13-20(18,19)9-4-5-11(15)10(6-9)12(16)17/h4-6,8,13,15H,7H2,1-3H3,(H,16,17)
InChIKeyWNOZUYYMFUTDRK-UHFFFAOYSA-N
XLogP0.32
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 82924057
5-(3,3-dimethylbutan-2-ylsulfamoyl)-2-hydroxybenzoic acid
CID 104827574
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758
2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281481
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82707336
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid (CID 82945005) is 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid is CC(CN(C)C)NS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is WNOZUYYMFUTDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-8(7-14(2)3)13-20(18,19)9-4-5-11(15)10(6-9)12(16)17/h4-6,8,13,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid?
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 302.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 82945005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).