5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide

C14H14Cl2N2O2S — CID 64607227

IUPAC5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-5-3-4-6-12(9)10(2)18-21(19,20)11-7-13(15)14(16)17-8-11/h3-8,10,18H,1-2H3
InChIKeyHKYQEMWZHAOHMQ-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.74
Rot. Bonds4

About 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 64607227) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID64607227
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-5-3-4-6-12(9)10(2)18-21(19,20)11-7-13(15)14(16)17-8-11/h3-8,10,18H,1-2H3
InChIKeyHKYQEMWZHAOHMQ-UHFFFAOYSA-N
XLogP3.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
2-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 62157966
5,6-dichloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 64607266
6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
6-amino-N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-5-methylpyridine-3-sulfonamide
CID 166378294
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
2-amino-5-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61105076
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide (CID 64607227) is 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is HKYQEMWZHAOHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9-5-3-4-6-12(9)10(2)18-21(19,20)11-7-13(15)14(16)17-8-11/h3-8,10,18H,1-2H3.
What are the key properties of 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64607227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).