methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate

C23H21ClN2O5S — CID 2334810

IUPACmethyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C23H21ClN2O5S/c1-26(18-6-4-3-5-7-18)32(29,30)19-12-13-21(24)20(14-19)22(27)25-15-16-8-10-17(11-9-16)23(28)31-2/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyVRYKONQDINGSFD-UHFFFAOYSA-N
MW472.95 g/mol
LogP3.88
Rot. Bonds7

About methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate

methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate (PubChem CID 2334810) has the molecular formula C23H21ClN2O5S and a molecular weight of 472.95 g/mol. Its IUPAC name is methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
PubChem CID2334810
Molecular FormulaC23H21ClN2O5S
Molecular Weight472.95 g/mol
Exact Mass472.09
IUPAC Namemethyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1
InChIInChI=1S/C23H21ClN2O5S/c1-26(18-6-4-3-5-7-18)32(29,30)19-12-13-21(24)20(14-19)22(27)25-15-16-8-10-17(11-9-16)23(28)31-2/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyVRYKONQDINGSFD-UHFFFAOYSA-N
XLogP3.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2577257
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 34315456
2-chloro-5-[methyl(phenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78816525
methyl 2-methyl-5-[methyl(phenyl)sulfamoyl]benzoate
CID 95970846
2-chloro-N-[(4-chlorophenyl)methyl]-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 5211087
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577
2-chloro-5-[methyl(phenyl)sulfamoyl]-N,N-di(propan-2-yl)benzamide
CID 78843267
methyl 4-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]benzoate
CID 4810749

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate (CID 2334810) is methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1.
What is the InChIKey of methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
The InChIKey is VRYKONQDINGSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5S/c1-26(18-6-4-3-5-7-18)32(29,30)19-12-13-21(24)20(14-19)22(27)25-15-16-8-10-17(11-9-16)23(28)31-2/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate?
methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate has a molecular weight of 472.95 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 2334810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).