N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide

C13H13ClN2O3S — CID 104821273

IUPACN-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-19-10-6-8-11(9-7-10)20(17,18)16-13-5-3-4-12(14)15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyKDCXNOUXWOZFLC-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.93
Rot. Bonds5

About N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide

N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide (PubChem CID 104821273) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
PubChem CID104821273
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-19-10-6-8-11(9-7-10)20(17,18)16-13-5-3-4-12(14)15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyKDCXNOUXWOZFLC-UHFFFAOYSA-N
XLogP2.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.93
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

N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
N-(6-bromo-2-pyridinyl)-4-ethoxybenzenesulfonamide
CID 115631079
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-(3-chloroquinoxalin-2-yl)-4-ethoxybenzenesulfonamide
CID 2410711
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-(5-bromopyrazin-2-yl)-4-ethoxybenzenesulfonamide
CID 115693688
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
2-chloro-6-[(4-ethoxyphenoxy)methyl]pyridine
CID 79240758
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821363

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide (CID 104821273) is N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
The InChIKey is KDCXNOUXWOZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-2-19-10-6-8-11(9-7-10)20(17,18)16-13-5-3-4-12(14)15-13/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 104821273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).