2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

C12H16BrNO3S — CID 114631512

IUPAC2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3S/c1-12(2)10(7-11(12)15)14-18(16,17)9-6-4-3-5-8(9)13/h3-6,10-11,14-15H,7H2,1-2H3
InChIKeyISPDYSGEAIMPSZ-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.89
Rot. Bonds3

About 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide

2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (PubChem CID 114631512) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
PubChem CID114631512
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3S/c1-12(2)10(7-11(12)15)14-18(16,17)9-6-4-3-5-8(9)13/h3-6,10-11,14-15H,7H2,1-2H3
InChIKeyISPDYSGEAIMPSZ-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631524
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114628487
3-amino-2-bromo-5-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628401
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 114631537
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
CID 114631600
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548
4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628427
N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,6-dimethylbenzenesulfonamide
CID 103171883

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide (CID 114631512) is 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
The InChIKey is ISPDYSGEAIMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-12(2)10(7-11(12)15)14-18(16,17)9-6-4-3-5-8(9)13/h3-6,10-11,14-15H,7H2,1-2H3.
What are the key properties of 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide?
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 114631512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).