3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide

C16H19NO5S2 — CID 11978633

IUPAC3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H19NO5S2/c1-22-12-6-11-17-24(20,21)16-10-5-9-15(13-16)23(18,19)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3
InChIKeyPKRUKIFASOVUIS-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.83
Rot. Bonds8

About 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide

3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 11978633) has the molecular formula C16H19NO5S2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID11978633
Molecular FormulaC16H19NO5S2
Molecular Weight369.46 g/mol
Exact Mass369.07
IUPAC Name3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H19NO5S2/c1-22-12-6-11-17-24(20,21)16-10-5-9-15(13-16)23(18,19)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3
InChIKeyPKRUKIFASOVUIS-UHFFFAOYSA-N
XLogP1.83
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide
CID 75510839
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
3-(2-methoxyethylsulfamoyl)benzenesulfonyl chloride
CID 18071474
3-(benzenesulfonyl)-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 11978755
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
3-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 60843908
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 174560677

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide (CID 11978633) is 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1cccc(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is PKRUKIFASOVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S2/c1-22-12-6-11-17-24(20,21)16-10-5-9-15(13-16)23(18,19)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11-12H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide?
3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 11978633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).