(2-bromo-5-chlorophenyl)methanesulfonamide

C7H7BrClNO2S — CID 66157489

IUPAC(2-bromo-5-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C7H7BrClNO2S/c8-7-2-1-6(9)3-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyWBTFVCXSZGNSOH-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.89
Rot. Bonds2

About (2-bromo-5-chlorophenyl)methanesulfonamide

(2-bromo-5-chlorophenyl)methanesulfonamide (PubChem CID 66157489) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)methanesulfonamide
PubChem CID66157489
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name(2-bromo-5-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cc(Cl)ccc1Br
InChIInChI=1S/C7H7BrClNO2S/c8-7-2-1-6(9)3-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyWBTFVCXSZGNSOH-UHFFFAOYSA-N
XLogP1.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)methanesulfonamide?
The IUPAC name of (2-bromo-5-chlorophenyl)methanesulfonamide (CID 66157489) is (2-bromo-5-chlorophenyl)methanesulfonamide.
What is the SMILES notation for (2-bromo-5-chlorophenyl)methanesulfonamide?
The canonical SMILES for (2-bromo-5-chlorophenyl)methanesulfonamide is NS(=O)(=O)Cc1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl)methanesulfonamide?
The InChIKey is WBTFVCXSZGNSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-7-2-1-6(9)3-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of (2-bromo-5-chlorophenyl)methanesulfonamide?
(2-bromo-5-chlorophenyl)methanesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 66157489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).