N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide

C15H20BrNO3S — CID 102872269

IUPACN-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(CCCBr)C2CCC2)cc1
InChIInChI=1S/C15H20BrNO3S/c1-21(19,20)14-8-6-12(7-9-14)15(18)17(11-3-10-16)13-4-2-5-13/h6-9,13H,2-5,10-11H2,1H3
InChIKeyNJEWYXWZLADDBG-UHFFFAOYSA-N
MW374.30 g/mol
LogP2.87
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide

N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide (PubChem CID 102872269) has the molecular formula C15H20BrNO3S and a molecular weight of 374.30 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
PubChem CID102872269
Molecular FormulaC15H20BrNO3S
Molecular Weight374.30 g/mol
Exact Mass373.03
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(CCCBr)C2CCC2)cc1
InChIInChI=1S/C15H20BrNO3S/c1-21(19,20)14-8-6-12(7-9-14)15(18)17(11-3-10-16)13-4-2-5-13/h6-9,13H,2-5,10-11H2,1H3
InChIKeyNJEWYXWZLADDBG-UHFFFAOYSA-N
XLogP2.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754316
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
CID 66184040

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide (CID 102872269) is N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)N(CCCBr)C2CCC2)cc1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
The InChIKey is NJEWYXWZLADDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3S/c1-21(19,20)14-8-6-12(7-9-14)15(18)17(11-3-10-16)13-4-2-5-13/h6-9,13H,2-5,10-11H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide?
N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide has a molecular weight of 374.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 102872269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).