4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide

C12H12BrCl2NO2S — CID 51888307

IUPAC4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H12BrCl2NO2S/c1-3-5-16(6-4-2)19(17,18)12-10(14)7-9(13)8-11(12)15/h3-4,7-8H,1-2,5-6H2
InChIKeyCELHEVSTKWEMBI-UHFFFAOYSA-N
MW385.11 g/mol
LogP4.12
Rot. Bonds6

About 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide

4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 51888307) has the molecular formula C12H12BrCl2NO2S and a molecular weight of 385.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID51888307
Molecular FormulaC12H12BrCl2NO2S
Molecular Weight385.11 g/mol
Exact Mass382.91
IUPAC Name4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H12BrCl2NO2S/c1-3-5-16(6-4-2)19(17,18)12-10(14)7-9(13)8-11(12)15/h3-4,7-8H,1-2,5-6H2
InChIKeyCELHEVSTKWEMBI-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.11
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzenesulfonamide
CID 115754612
4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide
CID 51889727
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 19682221
2,5-dibromo-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 51888305
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61113841
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
4-bromo-2,6-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 60594986
4-bromo-2,6-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 60639715

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 51888307) is 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is CELHEVSTKWEMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO2S/c1-3-5-16(6-4-2)19(17,18)12-10(14)7-9(13)8-11(12)15/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 385.11 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 51888307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).