N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide

C15H18BrNO2S — CID 114795644

IUPACN-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(C)N(CCBr)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18BrNO2S/c1-12(2)17(11-10-16)20(18,19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3
InChIKeyJLOPFGAEPHXZSP-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.63
Rot. Bonds5

About N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide

N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide (PubChem CID 114795644) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide
PubChem CID114795644
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC NameN-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(C)N(CCBr)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H18BrNO2S/c1-12(2)17(11-10-16)20(18,19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3
InChIKeyJLOPFGAEPHXZSP-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.63
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-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 115684041
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-1-sulfonamide
CID 134821387
N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide
CID 104774193
N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873538
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
N-(2-bromoethyl)-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 80670731
(2S)-2-[benzyl(naphthalen-1-ylsulfonyl)amino]-3-methylbutanoic acid
CID 10810829
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 80671711

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide (CID 114795644) is N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide is CC(C)N(CCBr)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide?
The InChIKey is JLOPFGAEPHXZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-12(2)17(11-10-16)20(18,19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide?
N-(2-bromoethyl)-N-propan-2-ylnaphthalene-1-sulfonamide has a molecular weight of 356.29 g/mol, XLogP of 3.63, 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-propan-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 114795644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).