2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

C18H24ClN3O3S — CID 31217476

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)n2C)c1
InChIInChI=1S/C18H24ClN3O3S/c1-5-22(6-2)26(24,25)15-9-10-17(19)16(11-15)18(23)20-12-14-8-7-13(3)21(14)4/h7-11H,5-6,12H2,1-4H3,(H,20,23)
InChIKeyPJBHLSWCMSLFQW-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.95
Rot. Bonds7

About 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (PubChem CID 31217476) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
PubChem CID31217476
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)n2C)c1
InChIInChI=1S/C18H24ClN3O3S/c1-5-22(6-2)26(24,25)15-9-10-17(19)16(11-15)18(23)20-12-14-8-7-13(3)21(14)4/h7-11H,5-6,12H2,1-4H3,(H,20,23)
InChIKeyPJBHLSWCMSLFQW-UHFFFAOYSA-N
XLogP2.95
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 71900376
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide (CID 31217476) is 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(C)n2C)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
The InChIKey is PJBHLSWCMSLFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-5-22(6-2)26(24,25)15-9-10-17(19)16(11-15)18(23)20-12-14-8-7-13(3)21(14)4/h7-11H,5-6,12H2,1-4H3,(H,20,23).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide has a molecular weight of 397.93 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 31217476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).