5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

C14H14BrN3O3S — CID 2090693

IUPAC5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H14BrN3O3S/c15-12-7-11(8-17-9-12)14(19)18-6-5-10-1-3-13(4-2-10)22(16,20)21/h1-4,7-9H,5-6H2,(H,18,19)(H2,16,20,21)
InChIKeyYTPNBVBCOVNZQC-UHFFFAOYSA-N
MW384.26 g/mol
LogP1.46
Rot. Bonds5

About 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 2090693) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID2090693
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H14BrN3O3S/c15-12-7-11(8-17-9-12)14(19)18-6-5-10-1-3-13(4-2-10)22(16,20)21/h1-4,7-9H,5-6H2,(H,18,19)(H2,16,20,21)
InChIKeyYTPNBVBCOVNZQC-UHFFFAOYSA-N
XLogP1.46
TPSA102.15 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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (CID 2090693) is 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is YTPNBVBCOVNZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c15-12-7-11(8-17-9-12)14(19)18-6-5-10-1-3-13(4-2-10)22(16,20)21/h1-4,7-9H,5-6H2,(H,18,19)(H2,16,20,21).
What are the key properties of 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 384.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2090693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).