4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide

C10H15NO3S2 — CID 15895607

IUPAC4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCS)cc1
InChIInChI=1S/C10H15NO3S2/c1-14-9-3-5-10(6-4-9)16(12,13)11-7-2-8-15/h3-6,11,15H,2,7-8H2,1H3
InChIKeyZNLCYJHSKAQMLC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds6

About 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide

4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide (PubChem CID 15895607) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
PubChem CID15895607
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCS)cc1
InChIInChI=1S/C10H15NO3S2/c1-14-9-3-5-10(6-4-9)16(12,13)11-7-2-8-15/h3-6,11,15H,2,7-8H2,1H3
InChIKeyZNLCYJHSKAQMLC-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
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-sulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide (CID 15895607) is 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCS)cc1.
What is the InChIKey of 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide?
The InChIKey is ZNLCYJHSKAQMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-14-9-3-5-10(6-4-9)16(12,13)11-7-2-8-15/h3-6,11,15H,2,7-8H2,1H3.
What are the key properties of 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide?
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide has a molecular weight of 261.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 15895607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).