N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C20H18BrN3O4S — CID 30881386

IUPACN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1Br
InChIInChI=1S/C20H18BrN3O4S/c1-2-28-19-9-8-16(12-18(19)21)24-29(26,27)17-7-3-6-15(11-17)23-20(25)14-5-4-10-22-13-14/h3-13,24H,2H2,1H3,(H,23,25)
InChIKeyJDTUKEDGSPQLAF-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.30
Rot. Bonds7

About N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 30881386) has the molecular formula C20H18BrN3O4S and a molecular weight of 476.35 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID30881386
Molecular FormulaC20H18BrN3O4S
Molecular Weight476.35 g/mol
Exact Mass475.02
IUPAC NameN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1Br
InChIInChI=1S/C20H18BrN3O4S/c1-2-28-19-9-8-16(12-18(19)21)24-29(26,27)17-7-3-6-15(11-17)23-20(25)14-5-4-10-22-13-14/h3-13,24H,2H2,1H3,(H,23,25)
InChIKeyJDTUKEDGSPQLAF-UHFFFAOYSA-N
XLogP4.30
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044050
3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 26641485
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389
N-(3-bromo-4-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43001746
2-(2-bromo-4-ethylphenoxy)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 30398518
N-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925024

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 30881386) is N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1Br.
What is the InChIKey of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JDTUKEDGSPQLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O4S/c1-2-28-19-9-8-16(12-18(19)21)24-29(26,27)17-7-3-6-15(11-17)23-20(25)14-5-4-10-22-13-14/h3-13,24H,2H2,1H3,(H,23,25).
What are the key properties of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 476.35 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 30881386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).