1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

C16H19BrN2O3S — CID 46511196

IUPAC1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H19BrN2O3S/c1-3-19(4-2)23(21,22)15-8-9-16(20)18(12-15)11-13-6-5-7-14(17)10-13/h5-10,12H,3-4,11H2,1-2H3
InChIKeyBREIQILJOAZZTO-UHFFFAOYSA-N
MW399.31 g/mol
LogP2.69
Rot. Bonds6

About 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 46511196) has the molecular formula C16H19BrN2O3S and a molecular weight of 399.31 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID46511196
Molecular FormulaC16H19BrN2O3S
Molecular Weight399.31 g/mol
Exact Mass398.03
IUPAC Name1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cccc(Br)c2)c1
InChIInChI=1S/C16H19BrN2O3S/c1-3-19(4-2)23(21,22)15-8-9-16(20)18(12-15)11-13-6-5-7-14(17)10-13/h5-10,12H,3-4,11H2,1-2H3
InChIKeyBREIQILJOAZZTO-UHFFFAOYSA-N
XLogP2.69
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-1-[(3-cyanophenyl)methyl]-6-oxopyridine-3-sulfonamide
CID 25466968
N-(4-bromo-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16546169
N-[(3-chlorophenyl)methyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 9401741
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30873107
N,N-diethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-oxopyridine-3-sulfonamide
CID 38867518
1-(1,3-benzothiazol-2-ylmethyl)-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 27277189
N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
CID 30028160
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 35498413
N,N-diethyl-6-oxo-1-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
CID 167876025
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 31109501
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 46511196) is 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cccc(Br)c2)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is BREIQILJOAZZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3S/c1-3-19(4-2)23(21,22)15-8-9-16(20)18(12-15)11-13-6-5-7-14(17)10-13/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 399.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 46511196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).