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

C10H15BrN2O4S — CID 106181950

IUPAC5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H15BrN2O4S/c1-17-6-8(5-14)13-18(15,16)10-4-7(12)2-3-9(10)11/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyMDUSWIVXVOJLIL-UHFFFAOYSA-N
MW339.21 g/mol
LogP0.32
Rot. Bonds6

About 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide

5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 106181950) has the molecular formula C10H15BrN2O4S and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
PubChem CID106181950
Molecular FormulaC10H15BrN2O4S
Molecular Weight339.21 g/mol
Exact Mass337.99
IUPAC Name5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H15BrN2O4S/c1-17-6-8(5-14)13-18(15,16)10-4-7(12)2-3-9(10)11/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyMDUSWIVXVOJLIL-UHFFFAOYSA-N
XLogP0.32
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731
5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181683
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
5-amino-2-bromo-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 65206608
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
methyl 2-[(5-amino-2-bromophenyl)sulfonylamino]propanoate
CID 65206495
5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
5-amino-2-bromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 65206923
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (CID 106181950) is 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is COCC(CO)NS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is MDUSWIVXVOJLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S/c1-17-6-8(5-14)13-18(15,16)10-4-7(12)2-3-9(10)11/h2-4,8,13-14H,5-6,12H2,1H3.
What are the key properties of 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 339.21 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106181950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).