5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide

C10H14BrN3O3S — CID 113233794

IUPAC5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O3S/c1-2-14-18(16,17)4-3-13-10(15)8-5-9(11)7-12-6-8/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyNAUWCIVNRVMYAR-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.51
Rot. Bonds6

About 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide

5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide (PubChem CID 113233794) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide
PubChem CID113233794
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O3S/c1-2-14-18(16,17)4-3-13-10(15)8-5-9(11)7-12-6-8/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyNAUWCIVNRVMYAR-UHFFFAOYSA-N
XLogP0.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 113349718
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
2,4-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 103882820
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
N-(3-aminopropyl)-5-bromopyridine-3-carboxamide;dihydrochloride
CID 119408157
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
3-amino-N-[2-(ethylsulfamoyl)ethyl]-5-methylbenzamide
CID 106332827
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
CID 47165798
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide (CID 113233794) is 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide is CCNS(=O)(=O)CCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide?
The InChIKey is NAUWCIVNRVMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-2-14-18(16,17)4-3-13-10(15)8-5-9(11)7-12-6-8/h5-7,14H,2-4H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylsulfamoyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113233794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).