4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide

C11H18N2O5S — CID 106181722

IUPAC4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H18N2O5S/c1-17-7-9(6-14)13-19(15,16)11-4-3-8(12)5-10(11)18-2/h3-5,9,13-14H,6-7,12H2,1-2H3
InChIKeyFVCRUAAGBMXGTN-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.44
Rot. Bonds7

About 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide

4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 106181722) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID106181722
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H18N2O5S/c1-17-7-9(6-14)13-19(15,16)11-4-3-8(12)5-10(11)18-2/h3-5,9,13-14H,6-7,12H2,1-2H3
InChIKeyFVCRUAAGBMXGTN-UHFFFAOYSA-N
XLogP-0.44
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide (CID 106181722) is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide is COCC(CO)NS(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is FVCRUAAGBMXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-17-7-9(6-14)13-19(15,16)11-4-3-8(12)5-10(11)18-2/h3-5,9,13-14H,6-7,12H2,1-2H3.
What are the key properties of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide?
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106181722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).