N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide

C13H16BrCl2NO2S — CID 102873383

IUPACN-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16BrCl2NO2S/c14-5-2-6-17(12-3-1-4-12)20(18,19)13-8-10(15)7-11(16)9-13/h7-9,12H,1-6H2
InChIKeyLUHZIKFCFPWREQ-UHFFFAOYSA-N
MW401.15 g/mol
LogP4.32
Rot. Bonds6

About N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide

N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide (PubChem CID 102873383) has the molecular formula C13H16BrCl2NO2S and a molecular weight of 401.15 g/mol. Its IUPAC name is N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
PubChem CID102873383
Molecular FormulaC13H16BrCl2NO2S
Molecular Weight401.15 g/mol
Exact Mass398.95
IUPAC NameN-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N(CCCBr)C1CCC1
InChIInChI=1S/C13H16BrCl2NO2S/c14-5-2-6-17(12-3-1-4-12)20(18,19)13-8-10(15)7-11(16)9-13/h7-9,12H,1-6H2
InChIKeyLUHZIKFCFPWREQ-UHFFFAOYSA-N
XLogP4.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.15
LogP ≤ 54.32
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

3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
CID 63396941
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102873353
2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873318
4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
3,5-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 27664683
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
CID 102873568

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide?
The IUPAC name of N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide (CID 102873383) is N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide is O=S(=O)(c1cc(Cl)cc(Cl)c1)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide?
The InChIKey is LUHZIKFCFPWREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO2S/c14-5-2-6-17(12-3-1-4-12)20(18,19)13-8-10(15)7-11(16)9-13/h7-9,12H,1-6H2.
What are the key properties of N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide?
N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide has a molecular weight of 401.15 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide is sourced from PubChem (CID 102873383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).