3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide

C9H8Br2ClNO3S — CID 82915114

IUPAC3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OC/C=C/Cl)c(Br)c1
InChIInChI=1S/C9H8Br2ClNO3S/c10-7-4-6(17(13,14)15)5-8(11)9(7)16-3-1-2-12/h1-2,4-5H,3H2,(H2,13,14,15)/b2-1+
InChIKeyAADSPGVEMGJPGM-OWOJBTEDSA-N
MW405.50 g/mol
LogP2.99
Rot. Bonds4

About 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide

3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide (PubChem CID 82915114) has the molecular formula C9H8Br2ClNO3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
PubChem CID82915114
Molecular FormulaC9H8Br2ClNO3S
Molecular Weight405.50 g/mol
Exact Mass402.83
IUPAC Name3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OC/C=C/Cl)c(Br)c1
InChIInChI=1S/C9H8Br2ClNO3S/c10-7-4-6(17(13,14)15)5-8(11)9(7)16-3-1-2-12/h1-2,4-5H,3H2,(H2,13,14,15)/b2-1+
InChIKeyAADSPGVEMGJPGM-OWOJBTEDSA-N
XLogP2.99
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 81435717
3,5-dibromo-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82914764
3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909661
3,5-dibromo-4-(5-fluoropentoxy)benzenesulfonamide
CID 114280287
4-[(E)-3-chloroprop-2-enoxy]-3-phenylbenzenesulfonamide
CID 82914140
2-[(E)-3-chloroprop-2-enoxy]-3-methyl-5-nitrobenzenesulfonamide
CID 113369576
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
4-[(E)-3-chloroprop-2-enoxy]-2-methylbenzenesulfonamide
CID 82914363
2,6-dibromo-4-(3,5-dibromo-4-prop-2-enoxyphenyl)sulfonylphenolate
CID 3854389
5-bromo-2-[(E)-3-chloroprop-2-enoxy]-3-methylaniline
CID 107899511
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide
CID 65162551
[3-bromo-4-(3-chloroprop-2-enoxy)phenyl]methanamine
CID 76985667

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
The IUPAC name of 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide (CID 82915114) is 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
The canonical SMILES for 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Br)c(OC/C=C/Cl)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
The InChIKey is AADSPGVEMGJPGM-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H8Br2ClNO3S/c10-7-4-6(17(13,14)15)5-8(11)9(7)16-3-1-2-12/h1-2,4-5H,3H2,(H2,13,14,15)/b2-1+.
What are the key properties of 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide?
3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide is sourced from PubChem (CID 82915114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).