2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

C14H19Br2NO3S — CID 103990940

IUPAC2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCC2CCCCO2)cc1Br
InChIInChI=1S/C14H19Br2NO3S/c1-10-8-13(16)14(9-12(10)15)21(18,19)17-6-5-11-4-2-3-7-20-11/h8-9,11,17H,2-7H2,1H3
InChIKeyGGWBSSGVHVIFCU-UHFFFAOYSA-N
MW441.19 g/mol
LogP3.76
Rot. Bonds5

About 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 103990940) has the molecular formula C14H19Br2NO3S and a molecular weight of 441.19 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID103990940
Molecular FormulaC14H19Br2NO3S
Molecular Weight441.19 g/mol
Exact Mass438.95
IUPAC Name2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCCC2CCCCO2)cc1Br
InChIInChI=1S/C14H19Br2NO3S/c1-10-8-13(16)14(9-12(10)15)21(18,19)17-6-5-11-4-2-3-7-20-11/h8-9,11,17H,2-7H2,1H3
InChIKeyGGWBSSGVHVIFCU-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
2-bromo-5-(hydroxymethyl)-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 106014412
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
2,5-dibromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794097
2,5-dibromo-N-[2-(cyclopropylamino)ethyl]-4-methylbenzenesulfonamide
CID 81326640
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
2,5-dibromo-N-[(2-bromocyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 114297544
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
2,5-dibromo-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80708344

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 103990940) is 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCCC2CCCCO2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is GGWBSSGVHVIFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO3S/c1-10-8-13(16)14(9-12(10)15)21(18,19)17-6-5-11-4-2-3-7-20-11/h8-9,11,17H,2-7H2,1H3.
What are the key properties of 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 441.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103990940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).