(2-bromophenyl)methanesulfonamide

C7H8BrNO2S — CID 22141384

IUPAC(2-bromophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccccc1Br
InChIInChI=1S/C7H8BrNO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyXOHYLTHDHSCAIA-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.24
Rot. Bonds2

About (2-bromophenyl)methanesulfonamide

(2-bromophenyl)methanesulfonamide (PubChem CID 22141384) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is (2-bromophenyl)methanesulfonamide.

Molecular Properties

Compound Name(2-bromophenyl)methanesulfonamide
PubChem CID22141384
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name(2-bromophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccccc1Br
InChIInChI=1S/C7H8BrNO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKeyXOHYLTHDHSCAIA-UHFFFAOYSA-N
XLogP1.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methanesulfonamide?
The IUPAC name of (2-bromophenyl)methanesulfonamide (CID 22141384) is (2-bromophenyl)methanesulfonamide.
What is the SMILES notation for (2-bromophenyl)methanesulfonamide?
The canonical SMILES for (2-bromophenyl)methanesulfonamide is NS(=O)(=O)Cc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methanesulfonamide?
The InChIKey is XOHYLTHDHSCAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11).
What are the key properties of (2-bromophenyl)methanesulfonamide?
(2-bromophenyl)methanesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methanesulfonamide is sourced from PubChem (CID 22141384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).