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

C17H19N3O4S — CID 113009951

IUPACN-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCC2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O4S/c21-25(22,14-6-7-15-16(9-14)24-11-23-15)20-13-5-8-17(18-10-13)19-12-3-1-2-4-12/h5-10,12,20H,1-4,11H2,(H,18,19)
InChIKeyMPRLKHDSVGYBDZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.97
Rot. Bonds5

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

N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 113009951) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID113009951
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(NC2CCCC2)nc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O4S/c21-25(22,14-6-7-15-16(9-14)24-11-23-15)20-13-5-8-17(18-10-13)19-12-3-1-2-4-12/h5-10,12,20H,1-4,11H2,(H,18,19)
InChIKeyMPRLKHDSVGYBDZ-UHFFFAOYSA-N
XLogP2.97
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cycloheptylamino)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112985026
N-[6-(propylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009130
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016930
N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112980041
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113032001
N-(6-amino-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60791769
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009808

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide (CID 113009951) is N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(Nc1ccc(NC2CCCC2)nc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is MPRLKHDSVGYBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-25(22,14-6-7-15-16(9-14)24-11-23-15)20-13-5-8-17(18-10-13)19-12-3-1-2-4-12/h5-10,12,20H,1-4,11H2,(H,18,19).
What are the key properties of N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide?
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113009951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).