3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide

C16H18BrNO3S — CID 53221898

IUPAC3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cc(O)cc(Br)c2)c1
InChIInChI=1S/C16H18BrNO3S/c1-16(2,3)18-22(20,21)15-6-4-5-11(9-15)12-7-13(17)10-14(19)8-12/h4-10,18-19H,1-3H3
InChIKeyMPGPUZGHIWZHMW-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.90
Rot. Bonds3

About 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide

3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide (PubChem CID 53221898) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide
PubChem CID53221898
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2cc(O)cc(Br)c2)c1
InChIInChI=1S/C16H18BrNO3S/c1-16(2,3)18-22(20,21)15-6-4-5-11(9-15)12-7-13(17)10-14(19)8-12/h4-10,18-19H,1-3H3
InChIKeyMPGPUZGHIWZHMW-UHFFFAOYSA-N
XLogP3.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 53221142
5-[3-(tert-butylsulfamoyl)phenyl]-2-chlorobenzoic acid
CID 53229010
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
4-[3-(tert-butylsulfamoyl)phenyl]-3-methylbenzoic acid
CID 53228990
4-[3-(tert-butylsulfamoyl)phenyl]-2-nitrobenzoic acid
CID 53229016
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224701
2-[3-(tert-butylsulfamoyl)phenyl]-4-chlorobenzoic acid
CID 53229013
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide?
The IUPAC name of 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide (CID 53221898) is 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide.
What is the SMILES notation for 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide?
The canonical SMILES for 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(O)cc(Br)c2)c1.
What is the InChIKey of 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide?
The InChIKey is MPGPUZGHIWZHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-16(2,3)18-22(20,21)15-6-4-5-11(9-15)12-7-13(17)10-14(19)8-12/h4-10,18-19H,1-3H3.
What are the key properties of 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide?
3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide is sourced from PubChem (CID 53221898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).