2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride

C11H16ClNO4S2 — CID 81358184

IUPAC2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
SMILESCC(CS(=O)(=O)NCCS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C11H16ClNO4S2/c1-10(11-5-3-2-4-6-11)9-19(16,17)13-7-8-18(12,14)15/h2-6,10,13H,7-9H2,1H3
InChIKeyUYHVFKGDBOPHFD-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.28
Rot. Bonds7

About 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride

2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride (PubChem CID 81358184) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
PubChem CID81358184
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
SMILESCC(CS(=O)(=O)NCCS(=O)(=O)Cl)c1ccccc1
InChIInChI=1S/C11H16ClNO4S2/c1-10(11-5-3-2-4-6-11)9-19(16,17)13-7-8-18(12,14)15/h2-6,10,13H,7-9H2,1H3
InChIKeyUYHVFKGDBOPHFD-UHFFFAOYSA-N
XLogP1.28
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(2-chloro-4-methylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158308
N-(2-chloropentyl)-2-phenylpropane-1-sulfonamide
CID 113496582
N-[3-(2-hydroxyethoxy)propyl]-2-phenylpropane-1-sulfonamide
CID 104600558
4-(2-phenylpropylsulfonylamino)butanimidamide
CID 80687571
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride?
The IUPAC name of 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride (CID 81358184) is 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride is CC(CS(=O)(=O)NCCS(=O)(=O)Cl)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride?
The InChIKey is UYHVFKGDBOPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-10(11-5-3-2-4-6-11)9-19(16,17)13-7-8-18(12,14)15/h2-6,10,13H,7-9H2,1H3.
What are the key properties of 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride?
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride has a molecular weight of 325.84 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride is sourced from PubChem (CID 81358184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).