methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

C15H18N2O5S — CID 3237854

IUPACmethyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)n1C
InChIInChI=1S/C15H18N2O5S/c1-17-13(15(18)22-3)7-8-14(17)23(19,20)16-10-11-5-4-6-12(9-11)21-2/h4-9,16H,10H2,1-3H3
InChIKeyNGYGYHYJDLJPEX-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.30
Rot. Bonds6

About methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 3237854) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID3237854
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Namemethyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)n1C
InChIInChI=1S/C15H18N2O5S/c1-17-13(15(18)22-3)7-8-14(17)23(19,20)16-10-11-5-4-6-12(9-11)21-2/h4-9,16H,10H2,1-3H3
InChIKeyNGYGYHYJDLJPEX-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate
CID 2738735
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
N-[(3-methoxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5156843
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
N-[4-methoxy-3-[(3-methoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 31481450
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34376886
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 3237854) is methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)n1C.
What is the InChIKey of methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is NGYGYHYJDLJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-17-13(15(18)22-3)7-8-14(17)23(19,20)16-10-11-5-4-6-12(9-11)21-2/h4-9,16H,10H2,1-3H3.
What are the key properties of methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 338.39 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methoxyphenyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 3237854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).