2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide

C14H17N3O6S — CID 10316165

IUPAC2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide
SMILESCC#CCOc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)NO)cc1
InChIInChI=1S/C14H17N3O6S/c1-2-3-8-23-10-4-6-11(7-5-10)24(21,22)17-12(9-13(15)18)14(19)16-20/h4-7,12,17,20H,8-9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyUWTDCHNWPQMTLI-UHFFFAOYSA-N
MW355.37 g/mol
LogP-0.88
Rot. Bonds8

About 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide

2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide (PubChem CID 10316165) has the molecular formula C14H17N3O6S and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide.

Molecular Properties

Compound Name2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide
PubChem CID10316165
Molecular FormulaC14H17N3O6S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide
SMILESCC#CCOc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)NO)cc1
InChIInChI=1S/C14H17N3O6S/c1-2-3-8-23-10-4-6-11(7-5-10)24(21,22)17-12(9-13(15)18)14(19)16-20/h4-7,12,17,20H,8-9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyUWTDCHNWPQMTLI-UHFFFAOYSA-N
XLogP-0.88
TPSA147.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzylsulfanyl-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 87599359
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 22644980
(2R)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxypentanamide
CID 87599423
benzyl N-[(3R)-3-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(hydroxyamino)-4-oxobutyl]carbamate
CID 45378252
(2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(diethylcarbamoylamino)-N-hydroxypentanamide
CID 54144570
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-(diethylcarbamoylamino)-N-hydroxypentanamide
CID 22644931
N-[5-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]benzamide
CID 22645053
methyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 54394859
N-[5-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]-4-methoxybenzamide
CID 22644906
N-[(5R)-5-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-(hydroxyamino)-6-oxohexyl]-4-chlorobenzamide
CID 87598589
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-6-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-hydroxyhexanamide
CID 22644728
3-(2-bromoethoxy)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
CID 22645004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide?
The IUPAC name of 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide (CID 10316165) is 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide.
What is the SMILES notation for 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide?
The canonical SMILES for 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide is CC#CCOc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)NO)cc1.
What is the InChIKey of 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide?
The InChIKey is UWTDCHNWPQMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6S/c1-2-3-8-23-10-4-6-11(7-5-10)24(21,22)17-12(9-13(15)18)14(19)16-20/h4-7,12,17,20H,8-9H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide?
2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide has a molecular weight of 355.37 g/mol, XLogP of -0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-N-hydroxybutanediamide is sourced from PubChem (CID 10316165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).