N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide

C13H13ClN2O3S — CID 2920868

IUPACN-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-19-11-4-6-12(7-5-11)20(17,18)16-13-8-3-10(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyYQUBONMWIIJEQA-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.93
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide

N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide (PubChem CID 2920868) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
PubChem CID2920868
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-19-11-4-6-12(7-5-11)20(17,18)16-13-8-3-10(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
InChIKeyYQUBONMWIIJEQA-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

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Related Compounds

4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
4-(3-Chlorophenoxy)-3-pyridinesulfonamide
CID 901268
5-chloro-2-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 1106588
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
N-(5-Chloro-pyridin-2-yl)-4-ethoxy-2,5-dimethyl-benzenesulfonamide
CID 653931
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2315879
5-chloro-2-ethoxy-N-(pyridin-3-yl)benzene-1-sulfonamide
CID 9267841
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
N-(5-Chloro-pyridin-2-yl)-4-methoxy-2,3-dimethyl-benzenesulfonamide
CID 646091
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801380

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide (CID 2920868) is N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
The InChIKey is YQUBONMWIIJEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-2-19-11-4-6-12(7-5-11)20(17,18)16-13-8-3-10(14)9-15-13/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide?
N-(5-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-(5-chloro-2-pyridinyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 2920868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).