methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate

C22H20N2O6S — CID 17175147

IUPACmethyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c1
InChIInChI=1S/C22H20N2O6S/c1-29-19-10-6-18(7-11-19)24-31(27,28)20-12-8-17(9-13-20)23-21(25)15-4-3-5-16(14-15)22(26)30-2/h3-14,24H,1-2H3,(H,23,25)
InChIKeyDXTZZRYYUUQYSS-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.53
Rot. Bonds7

About methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate

methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate (PubChem CID 17175147) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
PubChem CID17175147
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Namemethyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c1
InChIInChI=1S/C22H20N2O6S/c1-29-19-10-6-18(7-11-19)24-31(27,28)20-12-8-17(9-13-20)23-21(25)15-4-3-5-16(14-15)22(26)30-2/h3-14,24H,1-2H3,(H,23,25)
InChIKeyDXTZZRYYUUQYSS-UHFFFAOYSA-N
XLogP3.53
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate (CID 17175147) is methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)c1.
What is the InChIKey of methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
The InChIKey is DXTZZRYYUUQYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-29-19-10-6-18(7-11-19)24-31(27,28)20-12-8-17(9-13-20)23-21(25)15-4-3-5-16(14-15)22(26)30-2/h3-14,24H,1-2H3,(H,23,25).
What are the key properties of methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate?
methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate has a molecular weight of 440.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17175147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).