2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide

C11H18N2O4S — CID 93081199

IUPAC2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C11H18N2O4S/c1-3-8(7-14)13-18(15,16)11-5-4-9(17-2)6-10(11)12/h4-6,8,13-14H,3,7,12H2,1-2H3/t8-/m0/s1
InChIKeyUIPLCXRUGMTGJY-QMMMGPOBSA-N
MW274.34 g/mol
LogP0.33
Rot. Bonds6

About 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide

2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 93081199) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
PubChem CID93081199
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C11H18N2O4S/c1-3-8(7-14)13-18(15,16)11-5-4-9(17-2)6-10(11)12/h4-6,8,13-14H,3,7,12H2,1-2H3/t8-/m0/s1
InChIKeyUIPLCXRUGMTGJY-QMMMGPOBSA-N
XLogP0.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
methyl 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoate
CID 107213661
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzenesulfonamide
CID 62524804
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide
CID 106250052

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide (CID 93081199) is 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is UIPLCXRUGMTGJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-8(7-14)13-18(15,16)11-5-4-9(17-2)6-10(11)12/h4-6,8,13-14H,3,7,12H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide?
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 93081199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).