N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide

C15H17N3O4S — CID 113009130

IUPACN-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H17N3O4S/c1-2-7-16-15-6-3-11(9-17-15)18-23(19,20)12-4-5-13-14(8-12)22-10-21-13/h3-6,8-9,18H,2,7,10H2,1H3,(H,16,17)
InChIKeyOLUUZUGKBXPCQJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.43
Rot. Bonds6

About N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide

N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113009130) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113009130
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C15H17N3O4S/c1-2-7-16-15-6-3-11(9-17-15)18-23(19,20)12-4-5-13-14(8-12)22-10-21-13/h3-6,8-9,18H,2,7,10H2,1H3,(H,16,17)
InChIKeyOLUUZUGKBXPCQJ-UHFFFAOYSA-N
XLogP2.43
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009951
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016930
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
CID 113009140
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113044727
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808
2-oxo-N-[6-(propylamino)-3-pyridinyl]-1,3-dihydroindole-5-sulfonamide
CID 113009145
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210

Frequently Asked Questions

What is the IUPAC name of N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (CID 113009130) is N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is CCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is OLUUZUGKBXPCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-2-7-16-15-6-3-11(9-17-15)18-23(19,20)12-4-5-13-14(8-12)22-10-21-13/h3-6,8-9,18H,2,7,10H2,1H3,(H,16,17).
What are the key properties of N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113009130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).