(3-bromo-4-chlorophenyl)methanesulfonamide

C7H7BrClNO2S — CID 83231153

IUPAC(3-bromo-4-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNO2S/c8-6-3-5(1-2-7(6)9)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeySQTPUVCLFFQUHR-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.89
Rot. Bonds2

About (3-bromo-4-chlorophenyl)methanesulfonamide

(3-bromo-4-chlorophenyl)methanesulfonamide (PubChem CID 83231153) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)methanesulfonamide
PubChem CID83231153
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name(3-bromo-4-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNO2S/c8-6-3-5(1-2-7(6)9)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeySQTPUVCLFFQUHR-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 (3-bromo-4-chlorophenyl)methanesulfonamide?
The IUPAC name of (3-bromo-4-chlorophenyl)methanesulfonamide (CID 83231153) is (3-bromo-4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for (3-bromo-4-chlorophenyl)methanesulfonamide?
The canonical SMILES for (3-bromo-4-chlorophenyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)methanesulfonamide?
The InChIKey is SQTPUVCLFFQUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-6-3-5(1-2-7(6)9)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of (3-bromo-4-chlorophenyl)methanesulfonamide?
(3-bromo-4-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 (3-bromo-4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 83231153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).