N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide

C16H18BrNO2S — CID 102873538

IUPACN-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
SMILESO=S(=O)(c1cccc2ccccc12)N(CCBr)C1CCC1
InChIInChI=1S/C16H18BrNO2S/c17-11-12-18(14-7-4-8-14)21(19,20)16-10-3-6-13-5-1-2-9-15(13)16/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyFRHIJCKEODFVDJ-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.78
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide

N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide (PubChem CID 102873538) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
PubChem CID102873538
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
SMILESO=S(=O)(c1cccc2ccccc12)N(CCBr)C1CCC1
InChIInChI=1S/C16H18BrNO2S/c17-11-12-18(14-7-4-8-14)21(19,20)16-10-3-6-13-5-1-2-9-15(13)16/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyFRHIJCKEODFVDJ-UHFFFAOYSA-N
XLogP3.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.78
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

1-(1-Naphthylsulfonyl)piperidine
CID 962543
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952
N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10619437
N-methyl-N-[(2R)-4-[(3S)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 11793826
Naphthalene-1-sulfonic acid methyl-[1-methyl-3-(3-methyl-piperidin-1-yl)-propyl]-amide
CID 44268087
1-(4-Fluoro-naphthalene-1-sulfonyl)-piperidine
CID 558772
N-methyl-N-(1-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 3852202
1-Naphthalen-2-ylsulfonylazepane
CID 2791622
N-methyl-N-[(2S)-4-[(3S)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10643153
N-methyl-N-[(2S)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10785644
3-Methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 20105631
N-cyclopropyl-N-ethylnaphthalene-2-sulfonamide
CID 24679106

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide (CID 102873538) is N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide is O=S(=O)(c1cccc2ccccc12)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
The InChIKey is FRHIJCKEODFVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c17-11-12-18(14-7-4-8-14)21(19,20)16-10-3-6-13-5-1-2-9-15(13)16/h1-3,5-6,9-10,14H,4,7-8,11-12H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide?
N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide has a molecular weight of 368.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide is sourced from PubChem (CID 102873538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).