2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide

C11H18N2O3S — CID 43498596

IUPAC2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-9(7-14)13-17(15,16)11-5-4-8(2)6-10(11)12/h4-6,9,13-14H,3,7,12H2,1-2H3
InChIKeyZVSOEFHTMCPPKK-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.63
Rot. Bonds5

About 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide

2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 43498596) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
PubChem CID43498596
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-3-9(7-14)13-17(15,16)11-5-4-8(2)6-10(11)12/h4-6,9,13-14H,3,7,12H2,1-2H3
InChIKeyZVSOEFHTMCPPKK-UHFFFAOYSA-N
XLogP0.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
2-bromo-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43501641
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 93084038
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
methyl 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoate
CID 107213661
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide (CID 43498596) is 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide is CCC(CO)NS(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is ZVSOEFHTMCPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-9(7-14)13-17(15,16)11-5-4-8(2)6-10(11)12/h4-6,9,13-14H,3,7,12H2,1-2H3.
What are the key properties of 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide?
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43498596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).