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

C12H12BrN3O3S2 — CID 107519551

IUPAC3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ncccc2Br)s1
InChIInChI=1S/C12H12BrN3O3S2/c13-9-2-1-6-15-11(9)12(17)16-7-5-8-3-4-10(20-8)21(14,18)19/h1-4,6H,5,7H2,(H,16,17)(H2,14,18,19)
InChIKeyHRVAOFMJULWPFE-UHFFFAOYSA-N
MW390.28 g/mol
LogP1.53
Rot. Bonds5

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

3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 107519551) has the molecular formula C12H12BrN3O3S2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID107519551
Molecular FormulaC12H12BrN3O3S2
Molecular Weight390.28 g/mol
Exact Mass388.95
IUPAC Name3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ncccc2Br)s1
InChIInChI=1S/C12H12BrN3O3S2/c13-9-2-1-6-15-11(9)12(17)16-7-5-8-3-4-10(20-8)21(14,18)19/h1-4,6H,5,7H2,(H,16,17)(H2,14,18,19)
InChIKeyHRVAOFMJULWPFE-UHFFFAOYSA-N
XLogP1.53
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 107519560
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
5-[[(3-bromopyridine-2-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 107517313
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 47286704
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62339651
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277
4-iodo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246453
5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43110433
2-pyrazol-1-yl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 60976790
2,4-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 79884277
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
5-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]furan-3-carboxamide
CID 114822706

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide (CID 107519551) is 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ncccc2Br)s1.
What is the InChIKey of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is HRVAOFMJULWPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S2/c13-9-2-1-6-15-11(9)12(17)16-7-5-8-3-4-10(20-8)21(14,18)19/h1-4,6H,5,7H2,(H,16,17)(H2,14,18,19).
What are the key properties of 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide?
3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 390.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).