methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate

C18H16N2O4S — CID 70281652

IUPACmethyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C18H16N2O4S/c1-24-18(21)15-10-5-6-11-16(15)25(22,23)20(17-12-7-13-19-17)14-8-3-2-4-9-14/h2-13,19H,1H3
InChIKeySBWKWGIPMSYFGQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.33
Rot. Bonds5

About methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate

methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate (PubChem CID 70281652) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate
PubChem CID70281652
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C18H16N2O4S/c1-24-18(21)15-10-5-6-11-16(15)25(22,23)20(17-12-7-13-19-17)14-8-3-2-4-9-14/h2-13,19H,1H3
InChIKeySBWKWGIPMSYFGQ-UHFFFAOYSA-N
XLogP3.33
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
CID 67904319
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
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CID 71067036
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
CID 103833460
methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51169901
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[tert-butyl(prop-2-enyl)sulfamoyl]benzoate
CID 102920573

Frequently Asked Questions

What is the IUPAC name of methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate (CID 70281652) is methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(c1ccccc1)c1ccc[nH]1.
What is the InChIKey of methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate?
The InChIKey is SBWKWGIPMSYFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-18(21)15-10-5-6-11-16(15)25(22,23)20(17-12-7-13-19-17)14-8-3-2-4-9-14/h2-13,19H,1H3.
What are the key properties of methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate?
methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate has a molecular weight of 356.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[phenyl(1H-pyrrol-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 70281652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).