N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide

C16H18BrNO2S — CID 114294158

IUPACN-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H18BrNO2S/c1-13(17)15-9-5-6-10-16(15)18-21(19,20)12-11-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3
InChIKeyNZRQNEYMDBMAHM-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide

N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide (PubChem CID 114294158) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
PubChem CID114294158
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
SMILESCC(Br)c1ccccc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H18BrNO2S/c1-13(17)15-9-5-6-10-16(15)18-21(19,20)12-11-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3
InChIKeyNZRQNEYMDBMAHM-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.13
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-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
1-(1-bromoethyl)-2-(diethylsulfamoylamino)benzene
CID 113271126
2-(2-phenylethylsulfonylamino)benzamide
CID 110756518
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
N-[2-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
N-(1-chloropropan-2-yl)-2-phenylethanesulfonamide
CID 80688482
3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740639

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide (CID 114294158) is N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide is CC(Br)c1ccccc1NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is NZRQNEYMDBMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-13(17)15-9-5-6-10-16(15)18-21(19,20)12-11-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3.
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide?
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 114294158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).