5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide

C14H14BrN3O3S — CID 993374

IUPAC5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-2-17-22(20,21)13-5-3-12(4-6-13)18-14(19)10-7-11(15)9-16-8-10/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyRJTWKEJLUQNQLV-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.39
Rot. Bonds5

About 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide

5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 993374) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID993374
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H14BrN3O3S/c1-2-17-22(20,21)13-5-3-12(4-6-13)18-14(19)10-7-11(15)9-16-8-10/h3-9,17H,2H2,1H3,(H,18,19)
InChIKeyRJTWKEJLUQNQLV-UHFFFAOYSA-N
XLogP2.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 993374) is 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RJTWKEJLUQNQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-2-17-22(20,21)13-5-3-12(4-6-13)18-14(19)10-7-11(15)9-16-8-10/h3-9,17H,2H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 384.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 993374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).