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

C11H18N2O4S — CID 93081165

IUPAC4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H18N2O4S/c1-3-9(7-14)13-18(15,16)11-5-4-8(12)6-10(11)17-2/h4-6,9,13-14H,3,7,12H2,1-2H3/t9-/m0/s1
InChIKeyYJUACYHZVBKQDJ-VIFPVBQESA-N
MW274.34 g/mol
LogP0.33
Rot. Bonds6

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

4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide (PubChem CID 93081165) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
PubChem CID93081165
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H18N2O4S/c1-3-9(7-14)13-18(15,16)11-5-4-8(12)6-10(11)17-2/h4-6,9,13-14H,3,7,12H2,1-2H3/t9-/m0/s1
InChIKeyYJUACYHZVBKQDJ-VIFPVBQESA-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

4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
5-bromo-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034401
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034400
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide (CID 93081165) is 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide?
The InChIKey is YJUACYHZVBKQDJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-9(7-14)13-18(15,16)11-5-4-8(12)6-10(11)17-2/h4-6,9,13-14H,3,7,12H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide?
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-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 4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 93081165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).