2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

C10H13Br2NO3S — CID 62333139

IUPAC2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-7(14)6-13(2)17(15,16)10-4-3-8(11)5-9(10)12/h3-5,7,14H,6H2,1-2H3
InChIKeyMCSDJUMDWFKENF-UHFFFAOYSA-N
MW387.09 g/mol
LogP2.21
Rot. Bonds4

About 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 62333139) has the molecular formula C10H13Br2NO3S and a molecular weight of 387.09 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID62333139
Molecular FormulaC10H13Br2NO3S
Molecular Weight387.09 g/mol
Exact Mass384.90
IUPAC Name2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H13Br2NO3S/c1-7(14)6-13(2)17(15,16)10-4-3-8(11)5-9(10)12/h3-5,7,14H,6H2,1-2H3
InChIKeyMCSDJUMDWFKENF-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.09
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
3-bromo-4-[2-cyanopropyl(methyl)sulfamoyl]benzoic acid
CID 60951075
2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61217796
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (CID 62333139) is 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is CC(O)CN(C)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is MCSDJUMDWFKENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO3S/c1-7(14)6-13(2)17(15,16)10-4-3-8(11)5-9(10)12/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 387.09 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62333139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).