5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide

C13H14ClN3O3S — CID 115378925

IUPAC5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c1
InChIInChI=1S/C13H14ClN3O3S/c1-17(2)10-5-3-4-9(6-10)16-21(19,20)11-7-12(14)13(18)15-8-11/h3-8,16H,1-2H3,(H,15,18)
InChIKeyBUDQJVMPJIQDFX-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.90
Rot. Bonds4

About 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 115378925) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID115378925
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c1
InChIInChI=1S/C13H14ClN3O3S/c1-17(2)10-5-3-4-9(6-10)16-21(19,20)11-7-12(14)13(18)15-8-11/h3-8,16H,1-2H3,(H,15,18)
InChIKeyBUDQJVMPJIQDFX-UHFFFAOYSA-N
XLogP1.90
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607130
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531
5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608816
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606352
5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608237
6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 115375852
5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607514
5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 115378925) is 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide is CN(C)c1cccc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is BUDQJVMPJIQDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-17(2)10-5-3-4-9(6-10)16-21(19,20)11-7-12(14)13(18)15-8-11/h3-8,16H,1-2H3,(H,15,18).
What are the key properties of 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 327.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 115378925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).