2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide

C11H13Br2NO3S — CID 113431371

IUPAC2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C11H13Br2NO3S/c1-17-9-5-8(6-9)14-18(15,16)11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyGLUZAYSNUXHKHQ-UHFFFAOYSA-N
MW399.10 g/mol
LogP2.67
Rot. Bonds4

About 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide

2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide (PubChem CID 113431371) has the molecular formula C11H13Br2NO3S and a molecular weight of 399.10 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
PubChem CID113431371
Molecular FormulaC11H13Br2NO3S
Molecular Weight399.10 g/mol
Exact Mass396.90
IUPAC Name2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C11H13Br2NO3S/c1-17-9-5-8(6-9)14-18(15,16)11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyGLUZAYSNUXHKHQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
CID 43596915
5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide
CID 114119962
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
5-bromo-N-(3-ethoxycyclobutyl)-2-nitrobenzenesulfonamide
CID 102609499
2,5-dibromo-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 95400193
2-amino-5-chloro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 114118594
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
2,5-dibromo-N-[(5R)-1-cyano-5-propan-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 89142687
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide (CID 113431371) is 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide is COC1CC(NS(=O)(=O)c2cc(Br)ccc2Br)C1.
What is the InChIKey of 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide?
The InChIKey is GLUZAYSNUXHKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3S/c1-17-9-5-8(6-9)14-18(15,16)11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3.
What are the key properties of 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide?
2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide has a molecular weight of 399.10 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-methoxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113431371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).