N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide

C15H16BrNO3S — CID 81494969

IUPACN-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)Nc1cccc(Br)c1O)c1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-11(12-6-3-2-4-7-12)10-21(19,20)17-14-9-5-8-13(16)15(14)18/h2-9,11,17-18H,10H2,1H3
InChIKeyMZAKSOVPWVWYDV-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.70
Rot. Bonds5

About N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide

N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide (PubChem CID 81494969) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide
PubChem CID81494969
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)Nc1cccc(Br)c1O)c1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-11(12-6-3-2-4-7-12)10-21(19,20)17-14-9-5-8-13(16)15(14)18/h2-9,11,17-18H,10H2,1H3
InChIKeyMZAKSOVPWVWYDV-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-phenylpropane-1-sulfonamide
CID 81260767
N-(3-bromo-2-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 81495801
N-(4-hydroxy-2-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80689891
N-(3-bromo-4-methylphenyl)-2-phenylpropane-1-sulfonamide
CID 80691145
N-[3-(bromomethyl)phenyl]-2-phenylpropane-1-sulfonamide
CID 114298896
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(4-aminophenyl)-2-phenylpropane-1-sulfonamide
CID 80685946
2-phenylpropane-1-sulfonic acid
CID 18989058
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide (CID 81494969) is N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)Nc1cccc(Br)c1O)c1ccccc1.
What is the InChIKey of N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is MZAKSOVPWVWYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-11(12-6-3-2-4-7-12)10-21(19,20)17-14-9-5-8-13(16)15(14)18/h2-9,11,17-18H,10H2,1H3.
What are the key properties of N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide?
N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxyphenyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 81494969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).