N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide

C14H16N2O5S — CID 11508093

IUPACN,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
InChIInChI=1S/C14H16N2O5S/c1-9(17)13(14(18)15-19)16-22(20,21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,16-17,19H,1H3,(H,15,18)
InChIKeyGJVZRCJAKDCGIX-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.37
Rot. Bonds5

About N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide

N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide (PubChem CID 11508093) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide
PubChem CID11508093
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC NameN,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
InChIInChI=1S/C14H16N2O5S/c1-9(17)13(14(18)15-19)16-22(20,21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,16-17,19H,1H3,(H,15,18)
InChIKeyGJVZRCJAKDCGIX-UHFFFAOYSA-N
XLogP0.37
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4-fluoronaphthalene-1-)sulfonamido]-N-hydroxy-3-methylbutanamide
CID 6539673
(2R)-N-hydroxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44608938
(2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 44609100
naphth-2-ylsulfonyl-D-N(isoamyl)Ser(tBu)-NHOH
CID 57394730
(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 57394731
n-Hydroxy-2-(naphthalene-2-sulfonylamino)-acetamide
CID 57398187
(2R)-N,3-dihydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]propanamide
CID 57398273
(R)-4-Amino-2-[(biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydroxy-butyramide
CID 44389591
(2S,3R)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-N-tetradecylbutanamide
CID 73671609
(2S,3R)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-N-octadecylbutanamide
CID 90111792
2-([[4-(1,1-dimethylpropyl)phenyl]sulfonyl]amino)-N,3-dihydroxybutanamide
CID 11645891
3-Hydroxy-2-(naphthalene-2-sulfonamido)butanoic acid
CID 4840496

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide?
The IUPAC name of N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide (CID 11508093) is N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide is CC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO.
What is the InChIKey of N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide?
The InChIKey is GJVZRCJAKDCGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-9(17)13(14(18)15-19)16-22(20,21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13,16-17,19H,1H3,(H,15,18).
What are the key properties of N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide?
N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide has a molecular weight of 324.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2-(naphthalen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 11508093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).