4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

C11H15BrCl2N2O2S — CID 63700364

IUPAC4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H15BrCl2N2O2S/c1-15(2)4-5-16(3)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7H,4-5H2,1-3H3
InChIKeyYARMMMQBNBBUDK-UHFFFAOYSA-N
MW390.13 g/mol
LogP2.94
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (PubChem CID 63700364) has the molecular formula C11H15BrCl2N2O2S and a molecular weight of 390.13 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
PubChem CID63700364
Molecular FormulaC11H15BrCl2N2O2S
Molecular Weight390.13 g/mol
Exact Mass387.94
IUPAC Name4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H15BrCl2N2O2S/c1-15(2)4-5-16(3)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7H,4-5H2,1-3H3
InChIKeyYARMMMQBNBBUDK-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
CID 76929365
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 28536385
4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 30329132
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzenesulfonamide
CID 23880213
4-bromo-2,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 63420640

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (CID 63700364) is 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is CN(C)CCN(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is YARMMMQBNBBUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrCl2N2O2S/c1-15(2)4-5-16(3)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 390.13 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 63700364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).