N-(2-bromophenyl)methanesulfonamide

C7H8BrNO2S — CID 3629878

IUPACN-(2-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyHRLPDILAYHUIIF-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.82
Rot. Bonds2

About N-(2-bromophenyl)methanesulfonamide

N-(2-bromophenyl)methanesulfonamide (PubChem CID 3629878) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is N-(2-bromophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)methanesulfonamide
PubChem CID3629878
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC NameN-(2-bromophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyHRLPDILAYHUIIF-UHFFFAOYSA-N
XLogP1.82
TPSA46.17 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)methanesulfonamide?
The IUPAC name of N-(2-bromophenyl)methanesulfonamide (CID 3629878) is N-(2-bromophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)methanesulfonamide?
The InChIKey is HRLPDILAYHUIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3.
What are the key properties of N-(2-bromophenyl)methanesulfonamide?
N-(2-bromophenyl)methanesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)methanesulfonamide is sourced from PubChem (CID 3629878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).