3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide

C10H15ClN2O5S2 — CID 63290463

IUPAC3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
SMILESCOCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H15ClN2O5S2/c1-18-5-2-6-19(14,15)13-10-4-3-8(7-9(10)11)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16,17)
InChIKeyXXELAQRTDDYBSM-UHFFFAOYSA-N
MW342.83 g/mol
LogP0.77
Rot. Bonds7

About 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide

3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide (PubChem CID 63290463) has the molecular formula C10H15ClN2O5S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
PubChem CID63290463
Molecular FormulaC10H15ClN2O5S2
Molecular Weight342.83 g/mol
Exact Mass342.01
IUPAC Name3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
SMILESCOCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H15ClN2O5S2/c1-18-5-2-6-19(14,15)13-10-4-3-8(7-9(10)11)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16,17)
InChIKeyXXELAQRTDDYBSM-UHFFFAOYSA-N
XLogP0.77
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
CID 82843552
3-chloro-N'-hydroxy-4-(3-methoxypropylsulfonylamino)benzenecarboximidamide
CID 107810010
4-(butylsulfonylamino)-3-methylbenzenesulfonamide
CID 43246859
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245877
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-methoxypropane-1-sulfonamide
CID 81280680
5-chloro-2-methoxy-4-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290355
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
2-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 47101010
3-bromo-4-(2-methoxyethylsulfonylamino)benzenesulfonyl chloride
CID 55014257
2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide (CID 63290463) is 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide is COCCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide?
The InChIKey is XXELAQRTDDYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O5S2/c1-18-5-2-6-19(14,15)13-10-4-3-8(7-9(10)11)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16,17).
What are the key properties of 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide?
3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide has a molecular weight of 342.83 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63290463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).