2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid

C20H24N2O5S — CID 45340807

IUPAC2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C20H24N2O5S/c1-3-12-22(13-4-2)28(26,27)16-9-7-8-15(14-16)19(23)21-18-11-6-5-10-17(18)20(24)25/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)(H,24,25)
InChIKeySYWIMWWPYADALA-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.45
Rot. Bonds9

About 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid

2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid (PubChem CID 45340807) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
PubChem CID45340807
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C20H24N2O5S/c1-3-12-22(13-4-2)28(26,27)16-9-7-8-15(14-16)19(23)21-18-11-6-5-10-17(18)20(24)25/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)(H,24,25)
InChIKeySYWIMWWPYADALA-UHFFFAOYSA-N
XLogP3.45
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(dipropylsulfamoyl)benzoyl]amino]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

3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591009
2-[[3-[butyl(2-hydroxyethyl)sulfamoyl]benzoyl]amino]-5-ethylbenzoic acid
CID 142866144
2-[[4-[prop-2-enyl(propyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142963917
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
N-butan-2-yl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 133231331
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
2-[[2-[4-(dipropylsulfamoyl)phenyl]-2-oxoethyl]amino]benzoic acid
CID 11316067
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 2670766

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid (CID 45340807) is 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid is CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid?
The InChIKey is SYWIMWWPYADALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-12-22(13-4-2)28(26,27)16-9-7-8-15(14-16)19(23)21-18-11-6-5-10-17(18)20(24)25/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid?
2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid has a molecular weight of 404.49 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 45340807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).