4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C15H21NO6S — CID 22975704

IUPAC4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)C(CCC(=O)O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO6S/c1-15(2,3)22-14(19)12(9-10-13(17)18)16-23(20,21)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyXEBYOQZQLBTWIL-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.54
Rot. Bonds7

About 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 22975704) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID22975704
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)C(CCC(=O)O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21NO6S/c1-15(2,3)22-14(19)12(9-10-13(17)18)16-23(20,21)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyXEBYOQZQLBTWIL-UHFFFAOYSA-N
XLogP1.54
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoate
CID 75113060
tert-butyl 3-benzamido-2-(benzenesulfonamido)propanoate
CID 67590480
tert-butyl (2S)-2-(benzenesulfonamido)-3-(propylamino)propanoate
CID 57187160
(3R)-3-[(4-chlorophenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90891648
(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58427308
ditert-butyl (2R)-2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]pentanedioate
CID 67589850
tert-butyl (2S)-2-(benzenesulfonamido)-5-[3-[3-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]propanoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-5-oxopentanoate
CID 22975578
lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 171479381
2-(benzenesulfonamido)pentanediamide
CID 71384470
tert-butyl 2-[(4-benzamidophenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 21348257
tert-butyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 14666516
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 22975704) is 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)C(CCC(=O)O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is XEBYOQZQLBTWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-15(2,3)22-14(19)12(9-10-13(17)18)16-23(20,21)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,17,18).
What are the key properties of 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 343.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 22975704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).