5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid

C15H10Cl3NO6S — CID 50894659

IUPAC5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
SMILESO=C(O)CN(c1ccc(Cl)c(C(=O)O)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl3NO6S/c16-8-1-3-12(18)13(5-8)26(24,25)19(7-14(20)21)9-2-4-11(17)10(6-9)15(22)23/h1-6H,7H2,(H,20,21)(H,22,23)
InChIKeyAXMDCUZPRBKXDF-UHFFFAOYSA-N
MW438.67 g/mol
LogP3.62
Rot. Bonds6

About 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid

5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid (PubChem CID 50894659) has the molecular formula C15H10Cl3NO6S and a molecular weight of 438.67 g/mol. Its IUPAC name is 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
PubChem CID50894659
Molecular FormulaC15H10Cl3NO6S
Molecular Weight438.67 g/mol
Exact Mass436.93
IUPAC Name5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
SMILESO=C(O)CN(c1ccc(Cl)c(C(=O)O)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10Cl3NO6S/c16-8-1-3-12(18)13(5-8)26(24,25)19(7-14(20)21)9-2-4-11(17)10(6-9)15(22)23/h1-6H,7H2,(H,20,21)(H,22,23)
InChIKeyAXMDCUZPRBKXDF-UHFFFAOYSA-N
XLogP3.62
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.67
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[carboxymethyl(ethylsulfonyl)amino]-2-chlorobenzoic acid
CID 50894486
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
CID 50893609
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714

Frequently Asked Questions

What is the IUPAC name of 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid?
The IUPAC name of 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid (CID 50894659) is 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid.
What is the SMILES notation for 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid?
The canonical SMILES for 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid is O=C(O)CN(c1ccc(Cl)c(C(=O)O)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid?
The InChIKey is AXMDCUZPRBKXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO6S/c16-8-1-3-12(18)13(5-8)26(24,25)19(7-14(20)21)9-2-4-11(17)10(6-9)15(22)23/h1-6H,7H2,(H,20,21)(H,22,23).
What are the key properties of 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid?
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid has a molecular weight of 438.67 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid is sourced from PubChem (CID 50894659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).