4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid

C14H22N2O4S — CID 102991760

IUPAC4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-16(11-5-10-15(2)3)21(19,20)13-8-6-12(7-9-13)14(17)18/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyGJOHRGHAZSFYFL-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.35
Rot. Bonds8

About 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid

4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid (PubChem CID 102991760) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
PubChem CID102991760
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-4-16(11-5-10-15(2)3)21(19,20)13-8-6-12(7-9-13)14(17)18/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyGJOHRGHAZSFYFL-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid
CID 100553237
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
3-chloro-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102993327
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
[(1R)-3-(dimethylamino)-1-phenylpropyl] 4-(diethylsulfamoyl)benzoate
CID 2317284
4-[3-(dimethylamino)propyl-methylamino]benzoic acid
CID 63695251

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid?
The IUPAC name of 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid (CID 102991760) is 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid is CCN(CCCN(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid?
The InChIKey is GJOHRGHAZSFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-16(11-5-10-15(2)3)21(19,20)13-8-6-12(7-9-13)14(17)18/h6-9H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid?
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 102991760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).