methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate

C23H21ClN2O6S — CID 1319935

IUPACmethyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H21ClN2O6S/c1-31-18-11-13-19(14-12-18)33(29,30)26(17-9-7-16(24)8-10-17)15-22(27)25-21-6-4-3-5-20(21)23(28)32-2/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyDUMAVHCDSYWVPI-UHFFFAOYSA-N
MW488.95 g/mol
LogP3.97
Rot. Bonds8

About methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate

methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate (PubChem CID 1319935) has the molecular formula C23H21ClN2O6S and a molecular weight of 488.95 g/mol. Its IUPAC name is methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate
PubChem CID1319935
Molecular FormulaC23H21ClN2O6S
Molecular Weight488.95 g/mol
Exact Mass488.08
IUPAC Namemethyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H21ClN2O6S/c1-31-18-11-13-19(14-12-18)33(29,30)26(17-9-7-16(24)8-10-17)15-22(27)25-21-6-4-3-5-20(21)23(28)32-2/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyDUMAVHCDSYWVPI-UHFFFAOYSA-N
XLogP3.97
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate with MolForge

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Related Compounds

Anthranilic acid deriv., 11
CID 25263366
Anthranilic acid deriv., 15
CID 25263370
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
Cambridge id 5575070
CID 1134627
ethyl 2-({N-(2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoate
CID 1324419
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-chloro-N-hydroxy-benzamide
CID 9846437
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-benzamide
CID 15859211
2-(4-Methoxy-benzenesulfonylamino)-N-((S)-1-phenyl-propyl)-benzamide
CID 44327937
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-benzoic acid
CID 1118219
Methyl 4-[({4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}acetyl)amino]benzoate
CID 3241572
N-(3,4-dichlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984403
N-(3-chlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984406

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate (CID 1319935) is methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate?
The InChIKey is DUMAVHCDSYWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O6S/c1-31-18-11-13-19(14-12-18)33(29,30)26(17-9-7-16(24)8-10-17)15-22(27)25-21-6-4-3-5-20(21)23(28)32-2/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate?
methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate has a molecular weight of 488.95 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 1319935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).