N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide

C14H17N3O3S — CID 113034106

IUPACN-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2cccc(OC)c2)cn1
InChIInChI=1S/C14H17N3O3S/c1-3-21(18,19)17-14-8-7-12(10-15-14)16-11-5-4-6-13(9-11)20-2/h4-10,16H,3H2,1-2H3,(H,15,17)
InChIKeyQARBXZILGJCMDM-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.60
Rot. Bonds6

About N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide

N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide (PubChem CID 113034106) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
PubChem CID113034106
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2cccc(OC)c2)cn1
InChIInChI=1S/C14H17N3O3S/c1-3-21(18,19)17-14-8-7-12(10-15-14)16-11-5-4-6-13(9-11)20-2/h4-10,16H,3H2,1-2H3,(H,15,17)
InChIKeyQARBXZILGJCMDM-UHFFFAOYSA-N
XLogP2.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(ethylsulfonylamino)-3-pyridinyl]amino]benzoate
CID 113035362
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113019129

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide (CID 113034106) is N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2cccc(OC)c2)cn1.
What is the InChIKey of N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide?
The InChIKey is QARBXZILGJCMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-21(18,19)17-14-8-7-12(10-15-14)16-11-5-4-6-13(9-11)20-2/h4-10,16H,3H2,1-2H3,(H,15,17).
What are the key properties of N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide?
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113034106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).