N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide

C14H12Cl2N2O3S — CID 110618393

IUPACN-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide
SMILESCC(=O)c1ccc(C)c(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O3S/c1-8-3-4-10(9(2)19)5-13(8)18-22(20,21)11-6-12(15)14(16)17-7-11/h3-7,18H,1-2H3
InChIKeyGOXSFKDYAOSRAW-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.70
Rot. Bonds4

About N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide

N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide (PubChem CID 110618393) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide
PubChem CID110618393
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC NameN-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide
SMILESCC(=O)c1ccc(C)c(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H12Cl2N2O3S/c1-8-3-4-10(9(2)19)5-13(8)18-22(20,21)11-6-12(15)14(16)17-7-11/h3-7,18H,1-2H3
InChIKeyGOXSFKDYAOSRAW-UHFFFAOYSA-N
XLogP3.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.70
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

5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
3-[(6-chloro-3-pyridinyl)sulfonylamino]-4-methylbenzoate
CID 7940712
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
CID 4731003
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
6-amino-N-(5-bromo-2-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 64602240
1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
CID 110612637
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
5,6-dichloro-N-(2,4,6-triiodophenyl)pyridine-3-sulfonamide
CID 64607451
6-amino-5-chloro-N-(4-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 64601518

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide (CID 110618393) is N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide is CC(=O)c1ccc(C)c(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide?
The InChIKey is GOXSFKDYAOSRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-8-3-4-10(9(2)19)5-13(8)18-22(20,21)11-6-12(15)14(16)17-7-11/h3-7,18H,1-2H3.
What are the key properties of N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide?
N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide has a molecular weight of 359.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide is sourced from PubChem (CID 110618393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).