2-(benzenesulfonamido)-3,5-dichlorobenzoic acid

C13H9Cl2NO4S — CID 43235236

IUPAC2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H9Cl2NO4S/c14-8-6-10(13(17)18)12(11(15)7-8)16-21(19,20)9-4-2-1-3-5-9/h1-7,16H,(H,17,18)
InChIKeyBCWAARJCQZCPAY-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.49
Rot. Bonds4

About 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid

2-(benzenesulfonamido)-3,5-dichlorobenzoic acid (PubChem CID 43235236) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
PubChem CID43235236
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(Cl)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H9Cl2NO4S/c14-8-6-10(13(17)18)12(11(15)7-8)16-21(19,20)9-4-2-1-3-5-9/h1-7,16H,(H,17,18)
InChIKeyBCWAARJCQZCPAY-UHFFFAOYSA-N
XLogP3.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide
CID 22719120
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863453
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid
CID 104933701
2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545847
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid (CID 43235236) is 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid is O=C(O)c1cc(Cl)cc(Cl)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid?
The InChIKey is BCWAARJCQZCPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-8-6-10(13(17)18)12(11(15)7-8)16-21(19,20)9-4-2-1-3-5-9/h1-7,16H,(H,17,18).
What are the key properties of 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid?
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid has a molecular weight of 346.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-3,5-dichlorobenzoic acid is sourced from PubChem (CID 43235236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).