4-[2-(diethylsulfamoylamino)ethyl]benzoic acid

C13H20N2O4S — CID 43234508

IUPAC4-[2-(diethylsulfamoylamino)ethyl]benzoic acid
SMILESCCN(CC)S(=O)(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-15(4-2)20(18,19)14-10-9-11-5-7-12(8-6-11)13(16)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyXXDBZYDLQNKTOM-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.10
Rot. Bonds8

About 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid

4-[2-(diethylsulfamoylamino)ethyl]benzoic acid (PubChem CID 43234508) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(diethylsulfamoylamino)ethyl]benzoic acid
PubChem CID43234508
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-[2-(diethylsulfamoylamino)ethyl]benzoic acid
SMILESCCN(CC)S(=O)(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-15(4-2)20(18,19)14-10-9-11-5-7-12(8-6-11)13(16)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyXXDBZYDLQNKTOM-UHFFFAOYSA-N
XLogP1.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 54904084
4-[2-(hexadecylsulfonylamino)ethyl]benzoic acid
CID 12945832
4-[2-(cyclopropylmethylsulfonylamino)ethyl]benzoic acid
CID 64987591
4-[2-(3-methoxypropylsulfonylamino)ethyl]benzoic acid
CID 63290444
1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
CID 63237275
4-[2-[(2-propylsulfonylacetyl)amino]ethyl]benzoic acid
CID 119168684
ethane;4-propylbenzoic acid
CID 91047964
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
4-[2-(2-oxopropylamino)ethyl]benzoic acid
CID 71393985
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid?
The IUPAC name of 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid (CID 43234508) is 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid is CCN(CC)S(=O)(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid?
The InChIKey is XXDBZYDLQNKTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-15(4-2)20(18,19)14-10-9-11-5-7-12(8-6-11)13(16)17/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid?
4-[2-(diethylsulfamoylamino)ethyl]benzoic acid has a molecular weight of 300.38 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylsulfamoylamino)ethyl]benzoic acid is sourced from PubChem (CID 43234508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).