(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide

C8H7BrClNO2S — CID 82779692

IUPAC(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide
SMILESNS(=O)(=O)/C=C/c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2S/c9-7-2-1-6(8(10)5-7)3-4-14(11,12)13/h1-5H,(H2,11,12,13)/b4-3+
InChIKeyYXRMDEXLVQIOTI-ONEGZZNKSA-N
MW296.57 g/mol
LogP2.36
Rot. Bonds2

About (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide

(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide (PubChem CID 82779692) has the molecular formula C8H7BrClNO2S and a molecular weight of 296.57 g/mol. Its IUPAC name is (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide
PubChem CID82779692
Molecular FormulaC8H7BrClNO2S
Molecular Weight296.57 g/mol
Exact Mass294.91
IUPAC Name(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide
SMILESNS(=O)(=O)/C=C/c1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO2S/c9-7-2-1-6(8(10)5-7)3-4-14(11,12)13/h1-5H,(H2,11,12,13)/b4-3+
InChIKeyYXRMDEXLVQIOTI-ONEGZZNKSA-N
XLogP2.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.57
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-bromo-2-chlorophenyl)prop-2-enoic acid
CID 52982958
4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene
CID 87962304
4-bromo-2-chlorobenzamide;(E)-2-(2-chlorophenyl)ethenesulfonic acid
CID 87701258
4-bromo-1-(4-bromobut-1-enyl)-2-chlorobenzene
CID 170498473
[(4-bromo-2-chlorophenyl)methylideneamino]urea
CID 137318192
4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
CID 15603087
(E)-2-(2-aminophenyl)ethenesulfonamide
CID 95562297
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061
4-bromo-2-chloro-1-(2-nitroprop-1-enyl)benzene
CID 67342127
(NE)-N-[(4-bromo-2-chlorophenyl)methylidene]thiohydroxylamine;2-methylpropane
CID 145459206
5-bromo-3-chloro-2-fluorobenzenesulfonamide
CID 131622390
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
CID 43347164

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide (CID 82779692) is (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide is NS(=O)(=O)/C=C/c1ccc(Br)cc1Cl.
What is the InChIKey of (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide?
The InChIKey is YXRMDEXLVQIOTI-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H7BrClNO2S/c9-7-2-1-6(8(10)5-7)3-4-14(11,12)13/h1-5H,(H2,11,12,13)/b4-3+.
What are the key properties of (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide?
(E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide has a molecular weight of 296.57 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-bromo-2-chlorophenyl)ethenesulfonamide is sourced from PubChem (CID 82779692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).