3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

C9H13BrN2O3S — CID 107212467

IUPAC3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2O3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1
InChIKeySWZHDQCPINAKRZ-ZCFIWIBFSA-N
MW309.19 g/mol
LogP0.69
Rot. Bonds4

About 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 107212467) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID107212467
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC Name3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2O3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1
InChIKeySWZHDQCPINAKRZ-ZCFIWIBFSA-N
XLogP0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
4-amino-3-bromo-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65309900
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298
3-amino-4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 115329475
3-amino-4-bromo-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 115329434
4-amino-3-bromo-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 113476908

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 107212467) is 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@H](CO)NS(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is SWZHDQCPINAKRZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1.
What are the key properties of 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 309.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 107212467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).