4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide

C12H16BrNO3S — CID 102609509

IUPAC4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO3S/c1-2-17-11-7-10(8-11)14-18(15,16)12-5-3-9(13)4-6-12/h3-6,10-11,14H,2,7-8H2,1H3
InChIKeyHGVJZLLETUGUAW-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.29
Rot. Bonds5

About 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide

4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide (PubChem CID 102609509) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
PubChem CID102609509
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO3S/c1-2-17-11-7-10(8-11)14-18(15,16)12-5-3-9(13)4-6-12/h3-6,10-11,14H,2,7-8H2,1H3
InChIKeyHGVJZLLETUGUAW-UHFFFAOYSA-N
XLogP2.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethoxycyclobutyl)-2-nitrobenzenesulfonamide
CID 102609499
3-N-(3-ethoxycyclobutyl)benzene-1,3-disulfonamide
CID 102609465
2-amino-N-(3-ethoxycyclobutyl)pyrimidine-5-sulfonamide
CID 114120750
N-(3-ethoxycyclobutyl)-2-hydroxybenzenesulfonamide
CID 114120079
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
5-(aminomethyl)-N-(3-ethoxycyclobutyl)furan-2-sulfonamide
CID 114120981
4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600641
4-N-(3-methoxycyclobutyl)benzene-1,4-disulfonamide
CID 104600653
5-[(3-ethoxycyclobutyl)sulfamoyl]furan-2-carboxylic acid
CID 114118892

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide (CID 102609509) is 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide is CCOC1CC(NS(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide?
The InChIKey is HGVJZLLETUGUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-2-17-11-7-10(8-11)14-18(15,16)12-5-3-9(13)4-6-12/h3-6,10-11,14H,2,7-8H2,1H3.
What are the key properties of 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide?
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 102609509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).