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

C10H15BrN2O4S — CID 106181731

IUPAC2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O4S/c1-17-6-8(5-14)13-18(15,16)10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyIINOSXMNZMOGHN-UHFFFAOYSA-N
MW339.21 g/mol
LogP0.32
Rot. Bonds6

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

2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 106181731) has the molecular formula C10H15BrN2O4S and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
PubChem CID106181731
Molecular FormulaC10H15BrN2O4S
Molecular Weight339.21 g/mol
Exact Mass337.99
IUPAC Name2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
SMILESCOCC(CO)NS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C10H15BrN2O4S/c1-17-6-8(5-14)13-18(15,16)10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyIINOSXMNZMOGHN-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'}

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Related Compounds

5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950
5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181683
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
methyl 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoate
CID 107213661
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide (CID 106181731) is 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is COCC(CO)NS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
The InChIKey is IINOSXMNZMOGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4S/c1-17-6-8(5-14)13-18(15,16)10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6,12H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide?
2-amino-4-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 2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106181731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).