2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide

C11H16N2O4S — CID 106346489

IUPAC2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C11H16N2O4S/c1-7(2)10(11(12)15)13-18(16,17)9-5-3-8(14)4-6-9/h3-7,10,13-14H,1-2H3,(H2,12,15)
InChIKeyGDWMDZUIKJDZBG-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.18
Rot. Bonds5

About 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide

2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 106346489) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
PubChem CID106346489
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(O)cc1)C(N)=O
InChIInChI=1S/C11H16N2O4S/c1-7(2)10(11(12)15)13-18(16,17)9-5-3-8(14)4-6-9/h3-7,10,13-14H,1-2H3,(H2,12,15)
InChIKeyGDWMDZUIKJDZBG-UHFFFAOYSA-N
XLogP0.18
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343811
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
CID 106346914
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856
2-[(6-hydrazinyl-3-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 106346146
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79009568
2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 114176438
3-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 70246349
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
CID 106347089
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide (CID 106346489) is 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide is CC(C)C(NS(=O)(=O)c1ccc(O)cc1)C(N)=O.
What is the InChIKey of 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is GDWMDZUIKJDZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(2)10(11(12)15)13-18(16,17)9-5-3-8(14)4-6-9/h3-7,10,13-14H,1-2H3,(H2,12,15).
What are the key properties of 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide?
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 272.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106346489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).