2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

C11H13Br2NO3S — CID 66005687

IUPAC2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3S/c12-8-1-2-11(10(13)5-8)18(16,17)14-6-7-3-9(15)4-7/h1-2,5,7,9,14-15H,3-4,6H2
InChIKeyLTZYGVDFQIQPJL-UHFFFAOYSA-N
MW399.10 g/mol
LogP2.26
Rot. Bonds4

About 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide

2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (PubChem CID 66005687) has the molecular formula C11H13Br2NO3S and a molecular weight of 399.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
PubChem CID66005687
Molecular FormulaC11H13Br2NO3S
Molecular Weight399.10 g/mol
Exact Mass396.90
IUPAC Name2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3S/c12-8-1-2-11(10(13)5-8)18(16,17)14-6-7-3-9(15)4-7/h1-2,5,7,9,14-15H,3-4,6H2
InChIKeyLTZYGVDFQIQPJL-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545
4-bromo-3-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoic acid
CID 66006224
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
3-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 115329563
4-amino-2-bromo-N-(cyclopropylmethyl)benzenesulfonamide
CID 43255757
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119401
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
5-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 81414494
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
4-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 106997288

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide (CID 66005687) is 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CC(O)C1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
The InChIKey is LTZYGVDFQIQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3S/c12-8-1-2-11(10(13)5-8)18(16,17)14-6-7-3-9(15)4-7/h1-2,5,7,9,14-15H,3-4,6H2.
What are the key properties of 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide?
2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide has a molecular weight of 399.10 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66005687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).