N-(2-bromoethyl)naphthalene-2-sulfonamide

C12H12BrNO2S — CID 4737381

IUPACN-(2-bromoethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCBr)c1ccc2ccccc2c1
InChIInChI=1S/C12H12BrNO2S/c13-7-8-14-17(15,16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,7-8H2
InChIKeyBBXQIULWYXWMQL-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.51
Rot. Bonds4

About N-(2-bromoethyl)naphthalene-2-sulfonamide

N-(2-bromoethyl)naphthalene-2-sulfonamide (PubChem CID 4737381) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is N-(2-bromoethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)naphthalene-2-sulfonamide
PubChem CID4737381
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC NameN-(2-bromoethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCBr)c1ccc2ccccc2c1
InChIInChI=1S/C12H12BrNO2S/c13-7-8-14-17(15,16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,7-8H2
InChIKeyBBXQIULWYXWMQL-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
N-nonylnaphthalene-2-sulfonamide
CID 19681387
2-(naphthalen-2-ylsulfonylamino)ethyl-di(propan-2-yl)azanium
CID 2459418
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-[(2-bromophenyl)methyl]naphthalene-2-sulfonamide
CID 3742341
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
N-(3-benzylsulfonylpropyl)naphthalene-2-sulfonamide
CID 55663765

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-bromoethyl)naphthalene-2-sulfonamide (CID 4737381) is N-(2-bromoethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)naphthalene-2-sulfonamide is O=S(=O)(NCCBr)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-bromoethyl)naphthalene-2-sulfonamide?
The InChIKey is BBXQIULWYXWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c13-7-8-14-17(15,16)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,7-8H2.
What are the key properties of N-(2-bromoethyl)naphthalene-2-sulfonamide?
N-(2-bromoethyl)naphthalene-2-sulfonamide has a molecular weight of 314.20 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 4737381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).