2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide

C14H13BrN2O3S — CID 103758980

IUPAC2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H13BrN2O3S/c1-2-21(19,20)12-6-4-3-5-11(12)17-14(18)10-7-8-16-13(15)9-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyGMIYHOKKHPTSNM-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.89
Rot. Bonds4

About 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide

2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 103758980) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID103758980
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H13BrN2O3S/c1-2-21(19,20)12-6-4-3-5-11(12)17-14(18)10-7-8-16-13(15)9-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyGMIYHOKKHPTSNM-UHFFFAOYSA-N
XLogP2.89
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103752146
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2-(ethylamino)-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 62165184
2-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 113349973
2-bromo-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 103754168
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
2-bromo-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 113255247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide (CID 103758980) is 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide is CCS(=O)(=O)c1ccccc1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is GMIYHOKKHPTSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-2-21(19,20)12-6-4-3-5-11(12)17-14(18)10-7-8-16-13(15)9-10/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 369.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 103758980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).