N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide

C19H17N3O4S — CID 177371080

IUPACN-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4S/c1-14(23)21-27(25,26)17-11-9-15(10-12-17)20-19(24)18-8-5-13-22(18)16-6-3-2-4-7-16/h2-13H,1H3,(H,20,24)(H,21,23)
InChIKeyDFTYTFMBAUMEGN-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.55
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide (PubChem CID 177371080) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide
PubChem CID177371080
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2-c2ccccc2)cc1
InChIInChI=1S/C19H17N3O4S/c1-14(23)21-27(25,26)17-11-9-15(10-12-17)20-19(24)18-8-5-13-22(18)16-6-3-2-4-7-16/h2-13H,1H3,(H,20,24)(H,21,23)
InChIKeyDFTYTFMBAUMEGN-UHFFFAOYSA-N
XLogP2.55
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 118947290
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[4-[(2-hydrazinyl-2-oxoacetyl)sulfamoyl]phenyl]benzamide
CID 21204126
N-[4-(pyridin-2-ylcarbamoylamino)phenyl]sulfonylacetamide
CID 110492034

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide (CID 177371080) is N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide?
The InChIKey is DFTYTFMBAUMEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-14(23)21-27(25,26)17-11-9-15(10-12-17)20-19(24)18-8-5-13-22(18)16-6-3-2-4-7-16/h2-13H,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-1-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 177371080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).