N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide

C14H22N2O4S — CID 62146549

IUPACN-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2COCCO2)cc1
InChIInChI=1S/C14H22N2O4S/c1-2-7-15-12-3-5-14(6-4-12)21(17,18)16-10-13-11-19-8-9-20-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyCMAXSJDXYKPFDG-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.20
Rot. Bonds7

About N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide

N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide (PubChem CID 62146549) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
PubChem CID62146549
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCC2COCCO2)cc1
InChIInChI=1S/C14H22N2O4S/c1-2-7-15-12-3-5-14(6-4-12)21(17,18)16-10-13-11-19-8-9-20-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyCMAXSJDXYKPFDG-UHFFFAOYSA-N
XLogP1.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide 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-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
N-(1,4-dioxan-2-ylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62147420
N-(1,4-dioxan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304982
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
4-cyclohexyl-N-[[(2S)-1,4-dioxan-2-yl]methyl]benzenesulfonamide
CID 94606731
4-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 103697427
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
3-amino-N-(1,4-dioxan-2-ylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343258
4-(propylamino)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80609830
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
N-(1,4-dioxan-2-ylmethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106016670
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide (CID 62146549) is N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)NCC2COCCO2)cc1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide?
The InChIKey is CMAXSJDXYKPFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-7-15-12-3-5-14(6-4-12)21(17,18)16-10-13-11-19-8-9-20-13/h3-6,13,15-16H,2,7-11H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide?
N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-4-(propylamino)benzenesulfonamide is sourced from PubChem (CID 62146549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).