2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid

C11H16N2O6S2 — CID 61008189

IUPAC2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O6S2/c1-2-6-13(8-11(14)15)21(18,19)10-5-3-4-9(7-10)20(12,16)17/h3-5,7H,2,6,8H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyXECLCAHDFXRYBN-UHFFFAOYSA-N
MW336.39 g/mol
LogP-0.18
Rot. Bonds7

About 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid

2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid (PubChem CID 61008189) has the molecular formula C11H16N2O6S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
PubChem CID61008189
Molecular FormulaC11H16N2O6S2
Molecular Weight336.39 g/mol
Exact Mass336.04
IUPAC Name2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O6S2/c1-2-6-13(8-11(14)15)21(18,19)10-5-3-4-9(7-10)20(12,16)17/h3-5,7H,2,6,8H2,1H3,(H,14,15)(H2,12,16,17)
InChIKeyXECLCAHDFXRYBN-UHFFFAOYSA-N
XLogP-0.18
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic 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

3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921
2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
CID 61007874
2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
ethyl 2-[(3-bromophenyl)sulfonyl-propylamino]acetate
CID 60521021
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
N,N-dipropylbenzenesulfonamide
CID 4053954
2-[(4-butan-2-ylphenyl)sulfonyl-propylamino]acetic acid
CID 61007380
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid (CID 61008189) is 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
The InChIKey is XECLCAHDFXRYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S2/c1-2-6-13(8-11(14)15)21(18,19)10-5-3-4-9(7-10)20(12,16)17/h3-5,7H,2,6,8H2,1H3,(H,14,15)(H2,12,16,17).
What are the key properties of 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid?
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid has a molecular weight of 336.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 61008189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).