2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid

C17H17Cl2NO5S — CID 113223258

IUPAC2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCCCOCc2ccccc2)c1Cl
InChIInChI=1S/C17H17Cl2NO5S/c18-13-9-14(17(21)22)16(19)15(10-13)26(23,24)20-7-4-8-25-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,20H,4,7-8,11H2,(H,21,22)
InChIKeySUKXDKNSLQUAGP-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.58
Rot. Bonds9

About 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid

2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid (PubChem CID 113223258) has the molecular formula C17H17Cl2NO5S and a molecular weight of 418.30 g/mol. Its IUPAC name is 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid
PubChem CID113223258
Molecular FormulaC17H17Cl2NO5S
Molecular Weight418.30 g/mol
Exact Mass417.02
IUPAC Name2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(S(=O)(=O)NCCCOCc2ccccc2)c1Cl
InChIInChI=1S/C17H17Cl2NO5S/c18-13-9-14(17(21)22)16(19)15(10-13)26(23,24)20-7-4-8-25-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,20H,4,7-8,11H2,(H,21,22)
InChIKeySUKXDKNSLQUAGP-UHFFFAOYSA-N
XLogP3.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)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-(butylsulfamoyl)-2,5-dichlorobenzoic acid
CID 43514496
2,6-difluoro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid
CID 122198788
2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120585
2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225908
N-hydroxy-2-methyl-2-(3-phenylmethoxypropylsulfamoyl)propanamide
CID 18723044
2,5-dimethyl-4-(3-phenylmethoxypropylsulfamoyl)furan-3-carboxylic acid
CID 122198787
2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43514531
1-bromo-N-(3-phenylmethoxypropyl)methanesulfonamide
CID 83085395
2,5-dichloro-3-(ethoxysulfamoyl)benzoic acid
CID 64973993
2,5-dichloro-3-(1,2-oxazol-3-ylmethylsulfamoyl)benzoic acid
CID 81176902
5-chloro-2-fluoro-3-(2-hydroxyethylsulfamoyl)benzoic acid
CID 43498357
2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid?
The IUPAC name of 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid (CID 113223258) is 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid?
The canonical SMILES for 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid is O=C(O)c1cc(Cl)cc(S(=O)(=O)NCCCOCc2ccccc2)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid?
The InChIKey is SUKXDKNSLQUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO5S/c18-13-9-14(17(21)22)16(19)15(10-13)26(23,24)20-7-4-8-25-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,20H,4,7-8,11H2,(H,21,22).
What are the key properties of 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid?
2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid has a molecular weight of 418.30 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(3-phenylmethoxypropylsulfamoyl)benzoic acid is sourced from PubChem (CID 113223258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).