N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide

C15H19N3O4S — CID 38339887

IUPACN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)n1C
InChIInChI=1S/C15H19N3O4S/c1-10-5-7-13(18(10)4)15(20)16-12-9-11(6-8-14(12)19)23(21,22)17(2)3/h5-9,19H,1-4H3,(H,16,20)
InChIKeyJNOHGPQWVFIJCZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.54
Rot. Bonds4

About N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide

N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 38339887) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID38339887
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)n1C
InChIInChI=1S/C15H19N3O4S/c1-10-5-7-13(18(10)4)15(20)16-12-9-11(6-8-14(12)19)23(21,22)17(2)3/h5-9,19H,1-4H3,(H,16,20)
InChIKeyJNOHGPQWVFIJCZ-UHFFFAOYSA-N
XLogP1.54
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide (CID 38339887) is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)n1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is JNOHGPQWVFIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-5-7-13(18(10)4)15(20)16-12-9-11(6-8-14(12)19)23(21,22)17(2)3/h5-9,19H,1-4H3,(H,16,20).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 38339887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).