4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide

C11H18N2O4S2 — CID 54931498

IUPAC4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
SMILESCCS(=O)(=O)NCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O4S2/c1-2-18(14,15)13-9-3-4-10-5-7-11(8-6-10)19(12,16)17/h5-8,13H,2-4,9H2,1H3,(H2,12,16,17)
InChIKeyONNXPXZJXSYGQA-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.21
Rot. Bonds7

About 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide

4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide (PubChem CID 54931498) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
PubChem CID54931498
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
SMILESCCS(=O)(=O)NCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O4S2/c1-2-18(14,15)13-9-3-4-10-5-7-11(8-6-10)19(12,16)17/h5-8,13H,2-4,9H2,1H3,(H2,12,16,17)
InChIKeyONNXPXZJXSYGQA-UHFFFAOYSA-N
XLogP0.21
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(propan-2-ylsulfonylamino)propyl]benzenesulfonamide
CID 60906181
4-[3-[(2-methylphenyl)methylsulfonylamino]propyl]benzenesulfonamide
CID 110293809
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113056192
4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide
CID 64553058
4-nonylbenzenesulfonamide
CID 19845394
N-[2-(4-ethylsulfonylphenyl)ethyl]ethanesulfonamide
CID 110790721
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
4-[2-[5-(propan-2-ylsulfonylamino)pentylamino]ethyl]benzenesulfonamide
CID 70939640
4-methoxy-2-methyl-N-[3-(4-sulfamoylphenyl)propyl]benzenesulfonamide
CID 110293800
4-[[4-[4-[2-(ethylsulfonylamino)ethyl]anilino]-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide
CID 24743683
4-(4-sulfamoylphenyl)butanamide
CID 145476026
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide (CID 54931498) is 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide is CCS(=O)(=O)NCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide?
The InChIKey is ONNXPXZJXSYGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-2-18(14,15)13-9-3-4-10-5-7-11(8-6-10)19(12,16)17/h5-8,13H,2-4,9H2,1H3,(H2,12,16,17).
What are the key properties of 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide?
4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide has a molecular weight of 306.41 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 54931498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).