N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide

C15H22BrNO2S — CID 102873568

IUPACN-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCBr)C2CCC2)cc1
InChIInChI=1S/C15H22BrNO2S/c1-2-4-13-7-9-15(10-8-13)20(18,19)17(12-11-16)14-5-3-6-14/h7-10,14H,2-6,11-12H2,1H3
InChIKeyRYGACKBLEDAJLD-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.58
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide

N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide (PubChem CID 102873568) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
PubChem CID102873568
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCBr)C2CCC2)cc1
InChIInChI=1S/C15H22BrNO2S/c1-2-4-13-7-9-15(10-8-13)20(18,19)17(12-11-16)14-5-3-6-14/h7-10,14H,2-6,11-12H2,1H3
InChIKeyRYGACKBLEDAJLD-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.58
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-(2-bromoethyl)-N-cyclopropyl-4-propylbenzenesulfonamide
CID 80668225
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554922
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
CID 80687108
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
CID 102639359
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide (CID 102873568) is N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CCBr)C2CCC2)cc1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide?
The InChIKey is RYGACKBLEDAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-2-4-13-7-9-15(10-8-13)20(18,19)17(12-11-16)14-5-3-6-14/h7-10,14H,2-6,11-12H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide?
N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide has a molecular weight of 360.32 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide is sourced from PubChem (CID 102873568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).