2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide

C14H15BrN2O3S — CID 107861996

IUPAC2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H15BrN2O3S/c15-11-6-7-12(16)14(8-11)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9,16H2/t13-/m0/s1
InChIKeyNKHVUPAZNSUKFK-ZDUSSCGKSA-N
MW371.26 g/mol
LogP2.04
Rot. Bonds5

About 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide

2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (PubChem CID 107861996) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
PubChem CID107861996
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C14H15BrN2O3S/c15-11-6-7-12(16)14(8-11)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9,16H2/t13-/m0/s1
InChIKeyNKHVUPAZNSUKFK-ZDUSSCGKSA-N
XLogP2.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.04
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

2-amino-5-bromo-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182474
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
4-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 74227940
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
CID 63421088
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 55160188
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (CID 107861996) is 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The InChIKey is NKHVUPAZNSUKFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c15-11-6-7-12(16)14(8-11)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9,16H2/t13-/m0/s1.
What are the key properties of 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 107861996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).