N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide

C13H18BrNO2S — CID 102873356

IUPACN-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCBr)C1CCC1
InChIInChI=1S/C13H18BrNO2S/c14-10-5-11-15(12-6-4-7-12)18(16,17)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyAUWILLLREJMOFC-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.01
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide

N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide (PubChem CID 102873356) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
PubChem CID102873356
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC NameN-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCBr)C1CCC1
InChIInChI=1S/C13H18BrNO2S/c14-10-5-11-15(12-6-4-7-12)18(16,17)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyAUWILLLREJMOFC-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
CID 102873383
N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102873353
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427
2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873318
N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
CID 102873568
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873538
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide
CID 102873415
N-(2-bromoethyl)-N-cyclohexyl-1-phenylmethanesulfonamide
CID 80669300
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide (CID 102873356) is N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
The InChIKey is AUWILLLREJMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c14-10-5-11-15(12-6-4-7-12)18(16,17)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide?
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide is sourced from PubChem (CID 102873356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).