4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid

C14H22N2O4S — CID 122068851

IUPAC4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
SMILESCN(C)c1ccc(S(=O)(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,10-9-13(17)18)15-21(19,20)12-7-5-11(6-8-12)16(3)4/h5-8,15H,9-10H2,1-4H3,(H,17,18)
InChIKeyCMBNRRIPRIZWBD-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.67
Rot. Bonds7

About 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid

4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid (PubChem CID 122068851) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
PubChem CID122068851
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
SMILESCN(C)c1ccc(S(=O)(=O)NC(C)(C)CCC(=O)O)cc1
InChIInChI=1S/C14H22N2O4S/c1-14(2,10-9-13(17)18)15-21(19,20)12-7-5-11(6-8-12)16(3)4/h5-8,15H,9-10H2,1-4H3,(H,17,18)
InChIKeyCMBNRRIPRIZWBD-UHFFFAOYSA-N
XLogP1.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
CID 122068780
4-[(3-bromo-4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 106605335
4-[(4-fluoro-3-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068854
4-[[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068703
4-[(3-fluoro-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068833
4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 62044183
4-[(3-bromo-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068864
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738
4-[4-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]phenyl]benzoic acid
CID 110454209
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460708
4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119204037

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid (CID 122068851) is 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid is CN(C)c1ccc(S(=O)(=O)NC(C)(C)CCC(=O)O)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
The InChIKey is CMBNRRIPRIZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,10-9-13(17)18)15-21(19,20)12-7-5-11(6-8-12)16(3)4/h5-8,15H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid?
4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122068851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).