N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide

C15H17N3O4S — CID 113036265

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C15H17N3O4S/c1-2-23(19,20)18-15-6-4-12(10-16-15)17-11-3-5-13-14(9-11)22-8-7-21-13/h3-6,9-10,17H,2,7-8H2,1H3,(H,16,18)
InChIKeyDZWFXPOYCMGFEI-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.36
Rot. Bonds5

About N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide

N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide (PubChem CID 113036265) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
PubChem CID113036265
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C15H17N3O4S/c1-2-23(19,20)18-15-6-4-12(10-16-15)17-11-3-5-13-14(9-11)22-8-7-21-13/h3-6,9-10,17H,2,7-8H2,1H3,(H,16,18)
InChIKeyDZWFXPOYCMGFEI-UHFFFAOYSA-N
XLogP2.36
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]ethanesulfonamide
CID 113035551
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113050339
N-[5-(3-methoxyanilino)-2-pyridinyl]ethanesulfonamide
CID 113034106
N-[5-(4-chloroanilino)-2-pyridinyl]ethanesulfonamide
CID 113033415
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113036236
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
methyl N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]carbamate
CID 113021680

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide (CID 113036265) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide?
The InChIKey is DZWFXPOYCMGFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-2-23(19,20)18-15-6-4-12(10-16-15)17-11-3-5-13-14(9-11)22-8-7-21-13/h3-6,9-10,17H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 113036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).