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

C10H16N2O4S — CID 114094501

IUPAC4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O4S/c1-16-7-9(6-13)12-17(14,15)10-4-2-8(11)3-5-10/h2-5,9,12-13H,6-7,11H2,1H3
InChIKeyDBPNOZPGSDQQHK-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.45
Rot. Bonds6

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

4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 114094501) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
PubChem CID114094501
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O4S/c1-16-7-9(6-13)12-17(14,15)10-4-2-8(11)3-5-10/h2-5,9,12-13H,6-7,11H2,1H3
InChIKeyDBPNOZPGSDQQHK-UHFFFAOYSA-N
XLogP-0.45
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.45
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-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950
N-(1-hydroxy-3-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 106197387
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731
2-(4-aminoanilino)-3-methoxypropan-1-ol
CID 106183923
4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 104600082
3-amino-5-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzenesulfonamide
CID 106181908
5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185109
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
4-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185920

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (CID 114094501) is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is COCC(CO)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is DBPNOZPGSDQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-16-7-9(6-13)12-17(14,15)10-4-2-8(11)3-5-10/h2-5,9,12-13H,6-7,11H2,1H3.
What are the key properties of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 260.31 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 114094501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).