4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide

C17H22N2O6S2 — CID 2164945

IUPAC4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H22N2O6S2/c1-24-14-4-8-16(9-5-14)26(20,21)18-12-3-13-19-27(22,23)17-10-6-15(25-2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyCMYHGJFXYZROFW-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.35
Rot. Bonds10

About 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide (PubChem CID 2164945) has the molecular formula C17H22N2O6S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
PubChem CID2164945
Molecular FormulaC17H22N2O6S2
Molecular Weight414.51 g/mol
Exact Mass414.09
IUPAC Name4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H22N2O6S2/c1-24-14-4-8-16(9-5-14)26(20,21)18-12-3-13-19-27(22,23)17-10-6-15(25-2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3
InChIKeyCMYHGJFXYZROFW-UHFFFAOYSA-N
XLogP1.35
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide (CID 2164945) is 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide?
The InChIKey is CMYHGJFXYZROFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S2/c1-24-14-4-8-16(9-5-14)26(20,21)18-12-3-13-19-27(22,23)17-10-6-15(25-2)7-11-17/h4-11,18-19H,3,12-13H2,1-2H3.
What are the key properties of 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide?
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide is sourced from PubChem (CID 2164945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).