2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid

C22H18Cl2N2O5S — CID 51344434

IUPAC2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl2N2O5S/c1-14-6-8-18(9-7-14)32(30,31)26(17-11-15(23)10-16(24)12-17)13-21(27)25-20-5-3-2-4-19(20)22(28)29/h2-12H,13H2,1H3,(H,25,27)(H,28,29)
InChIKeyDHXKNJIYCOPYCX-UHFFFAOYSA-N
MW493.37 g/mol
LogP4.83
Rot. Bonds7

About 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid

2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid (PubChem CID 51344434) has the molecular formula C22H18Cl2N2O5S and a molecular weight of 493.37 g/mol. Its IUPAC name is 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
PubChem CID51344434
Molecular FormulaC22H18Cl2N2O5S
Molecular Weight493.37 g/mol
Exact Mass492.03
IUPAC Name2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl2N2O5S/c1-14-6-8-18(9-7-14)32(30,31)26(17-11-15(23)10-16(24)12-17)13-21(27)25-20-5-3-2-4-19(20)22(28)29/h2-12H,13H2,1H3,(H,25,27)(H,28,29)
InChIKeyDHXKNJIYCOPYCX-UHFFFAOYSA-N
XLogP4.83
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid with MolForge

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Related Compounds

methyl 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30172009
N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891686
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 126265123
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894578
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897139
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 126132339
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 124662515
N-benzyl-2-[[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 23823171
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372113
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-phenylphenyl)acetamide
CID 126129468
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152377
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,5-dichlorophenyl)acetamide
CID 126338098

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid (CID 51344434) is 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid?
The InChIKey is DHXKNJIYCOPYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O5S/c1-14-6-8-18(9-7-14)32(30,31)26(17-11-15(23)10-16(24)12-17)13-21(27)25-20-5-3-2-4-19(20)22(28)29/h2-12H,13H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid?
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid has a molecular weight of 493.37 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid is sourced from PubChem (CID 51344434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).