N-[2-(1-bromoethoxy)phenyl]methanesulfonamide

C9H12BrNO3S — CID 70209856

IUPACN-[2-(1-bromoethoxy)phenyl]methanesulfonamide
SMILESCC(Br)Oc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C9H12BrNO3S/c1-7(10)14-9-6-4-3-5-8(9)11-15(2,12)13/h3-7,11H,1-2H3
InChIKeySKFVXSFPNNLZRS-UHFFFAOYSA-N
MW294.17 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(1-bromoethoxy)phenyl]methanesulfonamide

N-[2-(1-bromoethoxy)phenyl]methanesulfonamide (PubChem CID 70209856) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[2-(1-bromoethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-bromoethoxy)phenyl]methanesulfonamide
PubChem CID70209856
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC NameN-[2-(1-bromoethoxy)phenyl]methanesulfonamide
SMILESCC(Br)Oc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C9H12BrNO3S/c1-7(10)14-9-6-4-3-5-8(9)11-15(2,12)13/h3-7,11H,1-2H3
InChIKeySKFVXSFPNNLZRS-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 61062351
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-[2-(3-methylpentan-2-ylamino)phenyl]methanesulfonamide
CID 43743986
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
[2-(methanesulfonamido)phenyl] (2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174809837
2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 61454482
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
ethane;N-(2-methylphenyl)methanesulfonamide;molecular hydrogen
CID 143063933
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438
N-[2-(difluoromethoxy)phenyl]-1-(propylamino)propane-2-sulfonamide
CID 106030472

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(1-bromoethoxy)phenyl]methanesulfonamide (CID 70209856) is N-[2-(1-bromoethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1-bromoethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(1-bromoethoxy)phenyl]methanesulfonamide is CC(Br)Oc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(1-bromoethoxy)phenyl]methanesulfonamide?
The InChIKey is SKFVXSFPNNLZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-7(10)14-9-6-4-3-5-8(9)11-15(2,12)13/h3-7,11H,1-2H3.
What are the key properties of N-[2-(1-bromoethoxy)phenyl]methanesulfonamide?
N-[2-(1-bromoethoxy)phenyl]methanesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 70209856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).