N-(2-bromophenyl)-N-ethylmethanesulfonamide

C9H12BrNO2S — CID 66980818

IUPACN-(2-bromophenyl)-N-ethylmethanesulfonamide
SMILESCCN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C9H12BrNO2S/c1-3-11(14(2,12)13)9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3
InChIKeyMFPOARJWSLXSMG-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.23
Rot. Bonds3

About N-(2-bromophenyl)-N-ethylmethanesulfonamide

N-(2-bromophenyl)-N-ethylmethanesulfonamide (PubChem CID 66980818) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-ethylmethanesulfonamide
PubChem CID66980818
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-(2-bromophenyl)-N-ethylmethanesulfonamide
SMILESCCN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C9H12BrNO2S/c1-3-11(14(2,12)13)9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3
InChIKeyMFPOARJWSLXSMG-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(2-bromophenyl)-N-ethylmethanesulfonamide (CID 66980818) is N-(2-bromophenyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-N-ethylmethanesulfonamide is CCN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of N-(2-bromophenyl)-N-ethylmethanesulfonamide?
The InChIKey is MFPOARJWSLXSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-3-11(14(2,12)13)9-7-5-4-6-8(9)10/h4-7H,3H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-N-ethylmethanesulfonamide?
N-(2-bromophenyl)-N-ethylmethanesulfonamide has a molecular weight of 278.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 66980818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).