N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide

C13H14ClN3O2S — CID 113033415

IUPACN-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H14ClN3O2S/c1-2-20(18,19)17-13-8-7-12(9-15-13)16-11-5-3-10(14)4-6-11/h3-9,16H,2H2,1H3,(H,15,17)
InChIKeyGQBWGWSHBJRDFU-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.24
Rot. Bonds5

About N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide

N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide (PubChem CID 113033415) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
PubChem CID113033415
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H14ClN3O2S/c1-2-20(18,19)17-13-8-7-12(9-15-13)16-11-5-3-10(14)4-6-11/h3-9,16H,2H2,1H3,(H,15,17)
InChIKeyGQBWGWSHBJRDFU-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113033740
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]ethanesulfonamide
CID 113031073
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide (CID 113033415) is N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide?
The InChIKey is GQBWGWSHBJRDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-2-20(18,19)17-13-8-7-12(9-15-13)16-11-5-3-10(14)4-6-11/h3-9,16H,2H2,1H3,(H,15,17).
What are the key properties of N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide?
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113033415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).