N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide

C14H16ClN3O3S — CID 113019129

IUPACN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OC)c(Cl)c2)nc1
InChIInChI=1S/C14H16ClN3O3S/c1-3-22(19,20)18-11-5-7-14(16-9-11)17-10-4-6-13(21-2)12(15)8-10/h4-9,18H,3H2,1-2H3,(H,16,17)
InChIKeyDNJHUFHEKMJSGV-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.25
Rot. Bonds6

About N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide

N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide (PubChem CID 113019129) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
PubChem CID113019129
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(OC)c(Cl)c2)nc1
InChIInChI=1S/C14H16ClN3O3S/c1-3-22(19,20)18-11-5-7-14(16-9-11)17-10-4-6-13(21-2)12(15)8-10/h4-9,18H,3H2,1-2H3,(H,16,17)
InChIKeyDNJHUFHEKMJSGV-UHFFFAOYSA-N
XLogP3.25
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]ethanesulfonamide
CID 113048906
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
CID 113022491
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide (CID 113019129) is N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(OC)c(Cl)c2)nc1.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide?
The InChIKey is DNJHUFHEKMJSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-3-22(19,20)18-11-5-7-14(16-9-11)17-10-4-6-13(21-2)12(15)8-10/h4-9,18H,3H2,1-2H3,(H,16,17).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide?
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113019129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).