4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid

C11H16N2O4S — CID 99988945

IUPAC4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)c1ccc(C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O4S/c1-12(2)9-6-5-8(11(14)15)7-10(9)18(16,17)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyKDPIRQZLQDQMQY-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.70
Rot. Bonds4

About 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid

4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid (PubChem CID 99988945) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
PubChem CID99988945
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid
SMILESCN(C)c1ccc(C(=O)O)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H16N2O4S/c1-12(2)9-6-5-8(11(14)15)7-10(9)18(16,17)13(3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyKDPIRQZLQDQMQY-UHFFFAOYSA-N
XLogP0.70
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
4-(4-tert-butylphenyl)-3-(dimethylsulfamoyl)benzoic acid
CID 16768903
4-(dimethylamino)-3-(dimethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 46349145
5-(4-benzylpiperidine-1-carbonyl)-2-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 46349154
4-(dimethylamino)-3-hydroxybenzoic acid
CID 21481551
4-amino-3-(dimethylamino)benzoic acid
CID 82785522
3-amino-4-[tert-butylsulfonyl(methyl)amino]benzoic acid
CID 63688590
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(dimethylamino)-3-(dimethylsulfamoyl)benzamide
CID 46349169
4-chloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263286
3-[2-(dimethylamino)ethyl-methylsulfamoyl]-4-ethylbenzoic acid
CID 63694476
4-ethyl-3-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63981719

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid (CID 99988945) is 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid is CN(C)c1ccc(C(=O)O)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid?
The InChIKey is KDPIRQZLQDQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-12(2)9-6-5-8(11(14)15)7-10(9)18(16,17)13(3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid?
4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-(dimethylsulfamoyl)benzoic acid is sourced from PubChem (CID 99988945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).