4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide

C11H16N2O4S2 — CID 64555165

IUPAC4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)C1CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S2/c1-8(13-19(16,17)11-6-7-11)9-2-4-10(5-3-9)18(12,14)15/h2-5,8,11,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyXHOPIHJYPJIOJA-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.48
Rot. Bonds5

About 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide

4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide (PubChem CID 64555165) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
PubChem CID64555165
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)C1CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S2/c1-8(13-19(16,17)11-6-7-11)9-2-4-10(5-3-9)18(12,14)15/h2-5,8,11,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyXHOPIHJYPJIOJA-UHFFFAOYSA-N
XLogP0.48
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64762405
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816628
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide (CID 64555165) is 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide is CC(NS(=O)(=O)C1CC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide?
The InChIKey is XHOPIHJYPJIOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8(13-19(16,17)11-6-7-11)9-2-4-10(5-3-9)18(12,14)15/h2-5,8,11,13H,6-7H2,1H3,(H2,12,14,15).
What are the key properties of 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide?
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 64555165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).