5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide

C18H22BrN3O3S — CID 17448990

IUPAC5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C18H22BrN3O3S/c1-4-22(5-2)26(24,25)17-8-6-14(7-9-17)13(3)21-18(23)15-10-16(19)12-20-11-15/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyZPFPKHGJRHUOGO-UHFFFAOYSA-N
MW440.36 g/mol
LogP3.37
Rot. Bonds7

About 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide

5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 17448990) has the molecular formula C18H22BrN3O3S and a molecular weight of 440.36 g/mol. Its IUPAC name is 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID17448990
Molecular FormulaC18H22BrN3O3S
Molecular Weight440.36 g/mol
Exact Mass439.06
IUPAC Name5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C18H22BrN3O3S/c1-4-22(5-2)26(24,25)17-8-6-14(7-9-17)13(3)21-18(23)15-10-16(19)12-20-11-15/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyZPFPKHGJRHUOGO-UHFFFAOYSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532925
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 31367915
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide (CID 17448990) is 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is ZPFPKHGJRHUOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3S/c1-4-22(5-2)26(24,25)17-8-6-14(7-9-17)13(3)21-18(23)15-10-16(19)12-20-11-15/h6-13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide?
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 440.36 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 17448990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).