(4-bromo-2-chlorophenyl)methanesulfonamide

C7H7BrClNO2S — CID 112639838

IUPAC(4-bromo-2-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C7H7BrClNO2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyNGOFRDBLMBQXSP-UHFFFAOYSA-N
MW284.56 g/mol
LogP1.89
Rot. Bonds2

About (4-bromo-2-chlorophenyl)methanesulfonamide

(4-bromo-2-chlorophenyl)methanesulfonamide (PubChem CID 112639838) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)methanesulfonamide
PubChem CID112639838
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name(4-bromo-2-chlorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C7H7BrClNO2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyNGOFRDBLMBQXSP-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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Related Compounds

(2-Bromo-4-chlorophenyl)methanesulfonyl chloride
CID 71683197
(4-Bromo-2-chlorophenyl)methanethiol
CID 91874409
(2-Bromo-5-chlorophenyl)methanesulfonamide
CID 66157489
(4-Bromo-2-chlorophenyl)methanesulfonyl chloride
CID 83748714
(4-Bromo-3-chlorophenyl)methanesulfonyl chloride
CID 83748716
(2-Bromo-6-chlorophenyl)methanesulfonyl chloride
CID 117488799
(2-Bromo-3-chlorophenyl)methanesulfonamide
CID 132316036
(4-Bromo-3-chlorophenyl)methanesulfonyl fluoride
CID 165519161
4-bromo-2-chloro-1-[(E)-2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
CID 17946128
4-Bromo-2-chloro-1-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]benzene
CID 73413644
2-(4-Bromo-2-chloro-5-fluorophenyl)ethanesulfinic acid
CID 140275900
(4S)-4-(4-bromo-2-chlorophenyl)-5,5,5-trifluoro-2-methylpentane-2-sulfonamide
CID 140531592

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)methanesulfonamide?
The IUPAC name of (4-bromo-2-chlorophenyl)methanesulfonamide (CID 112639838) is (4-bromo-2-chlorophenyl)methanesulfonamide.
What is the SMILES notation for (4-bromo-2-chlorophenyl)methanesulfonamide?
The canonical SMILES for (4-bromo-2-chlorophenyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)methanesulfonamide?
The InChIKey is NGOFRDBLMBQXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of (4-bromo-2-chlorophenyl)methanesulfonamide?
(4-bromo-2-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 (4-bromo-2-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 112639838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).