4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide

C16H21N3O3S — CID 110782686

IUPAC4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C16H21N3O3S/c1-3-19(4-2)23(21,22)15-7-5-14(6-8-15)16(20)18-12-13-9-10-17-11-13/h5-11,17H,3-4,12H2,1-2H3,(H,18,20)
InChIKeyOSJDGVYYKDENLY-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.98
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide

4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 110782686) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID110782686
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C16H21N3O3S/c1-3-19(4-2)23(21,22)15-7-5-14(6-8-15)16(20)18-12-13-9-10-17-11-13/h5-11,17H,3-4,12H2,1-2H3,(H,18,20)
InChIKeyOSJDGVYYKDENLY-UHFFFAOYSA-N
XLogP1.98
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642029
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 110782686) is 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2cc[nH]c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is OSJDGVYYKDENLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-19(4-2)23(21,22)15-7-5-14(6-8-15)16(20)18-12-13-9-10-17-11-13/h5-11,17H,3-4,12H2,1-2H3,(H,18,20).
What are the key properties of 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide?
4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 110782686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).