2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid

C14H18ClNO4S — CID 43619265

IUPAC2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H18ClNO4S/c1-3-9-14(2,13(17)18)16-21(19,20)10-8-11-4-6-12(15)7-5-11/h4-8,10,16H,3,9H2,1-2H3,(H,17,18)/b10-8+
InChIKeyQYWFHWVIIYKLEI-CSKARUKUSA-N
MW331.82 g/mol
LogP2.87
Rot. Bonds7

About 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid

2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid (PubChem CID 43619265) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid
PubChem CID43619265
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H18ClNO4S/c1-3-9-14(2,13(17)18)16-21(19,20)10-8-11-4-6-12(15)7-5-11/h4-8,10,16H,3,9H2,1-2H3,(H,17,18)/b10-8+
InChIKeyQYWFHWVIIYKLEI-CSKARUKUSA-N
XLogP2.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-cyclopropylpropanoic acid
CID 43361670
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619283
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]propanoic acid
CID 43237715
ethyl 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]acetate
CID 54921365
(Z)-2-(4-chlorophenyl)-N-pentan-3-ylethenesulfonamide
CID 99918665
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-N-methylacetamide
CID 9302302
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619191
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
(E)-2-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]ethenesulfonamide
CID 104981974
2-methyl-2-(2-phenylethylsulfonylamino)pentanoic acid
CID 43619222
(E)-2-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)ethenesulfonamide
CID 43501666

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid (CID 43619265) is 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid?
The InChIKey is QYWFHWVIIYKLEI-CSKARUKUSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-3-9-14(2,13(17)18)16-21(19,20)10-8-11-4-6-12(15)7-5-11/h4-8,10,16H,3,9H2,1-2H3,(H,17,18)/b10-8+.
What are the key properties of 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid?
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid has a molecular weight of 331.82 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).