4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

C11H14BrCl2NO3S — CID 115902770

IUPAC4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-11(2,6-16)15(3)19(17,18)10-8(13)4-7(12)5-9(10)14/h4-5,16H,6H2,1-3H3
InChIKeyHRRCLIQUUPGPJE-UHFFFAOYSA-N
MW391.11 g/mol
LogP3.15
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 115902770) has the molecular formula C11H14BrCl2NO3S and a molecular weight of 391.11 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID115902770
Molecular FormulaC11H14BrCl2NO3S
Molecular Weight391.11 g/mol
Exact Mass388.93
IUPAC Name4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-11(2,6-16)15(3)19(17,18)10-8(13)4-7(12)5-9(10)14/h4-5,16H,6H2,1-3H3
InChIKeyHRRCLIQUUPGPJE-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61217623
4-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 116527769
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
4-bromo-2,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylbenzenesulfonamide
CID 63420640
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364
2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 113351327
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817485
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
CID 76929365
4-bromo-2,6-dichloro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 51888307
4-bromo-2,6-dichloro-N,N-bis(cyanomethyl)benzenesulfonamide
CID 51889727

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (CID 115902770) is 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is CN(C(C)(C)CO)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is HRRCLIQUUPGPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO3S/c1-11(2,6-16)15(3)19(17,18)10-8(13)4-7(12)5-9(10)14/h4-5,16H,6H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 391.11 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115902770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).