2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide

C11H13Br2NO3S — CID 115903054

IUPAC2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3S/c12-8-2-3-10(9(13)6-8)18(16,17)14-11(7-15)4-1-5-11/h2-3,6,14-15H,1,4-5,7H2
InChIKeyJAZLJCDSFWVKAB-UHFFFAOYSA-N
MW399.10 g/mol
LogP2.40
Rot. Bonds4

About 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide

2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide (PubChem CID 115903054) has the molecular formula C11H13Br2NO3S and a molecular weight of 399.10 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
PubChem CID115903054
Molecular FormulaC11H13Br2NO3S
Molecular Weight399.10 g/mol
Exact Mass396.90
IUPAC Name2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCC1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H13Br2NO3S/c12-8-2-3-10(9(13)6-8)18(16,17)14-11(7-15)4-1-5-11/h2-3,6,14-15H,1,4-5,7H2
InChIKeyJAZLJCDSFWVKAB-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
2-[1-[(4-bromo-2-chlorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79845918
2,4-dibromo-N-(1-cyanocyclobutyl)benzenesulfonamide
CID 61215705
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
4-bromo-2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62526692
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903044
2,3,4-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62521074
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
N-[1-(aminomethyl)cyclopentyl]-2-bromo-4-chlorobenzenesulfonamide
CID 120710186
methyl 5-bromo-4-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]thiophene-2-carboxylate
CID 104600258
1-[(2,5-dibromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81164987

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide (CID 115903054) is 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide is O=S(=O)(NC1(CO)CCC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide?
The InChIKey is JAZLJCDSFWVKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3S/c12-8-2-3-10(9(13)6-8)18(16,17)14-11(7-15)4-1-5-11/h2-3,6,14-15H,1,4-5,7H2.
What are the key properties of 2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide?
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide has a molecular weight of 399.10 g/mol, XLogP of 2.40, 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-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide is sourced from PubChem (CID 115903054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).