2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide

C12H16Br2N2O3S — CID 115323952

IUPAC2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCC2CNCCO2)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-8-4-11(14)12(5-10(8)13)20(17,18)16-7-9-6-15-2-3-19-9/h4-5,9,15-16H,2-3,6-7H2,1H3
InChIKeyBCNUSRNHFJNSFB-UHFFFAOYSA-N
MW428.15 g/mol
LogP1.79
Rot. Bonds4

About 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide

2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide (PubChem CID 115323952) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
PubChem CID115323952
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCC2CNCCO2)cc1Br
InChIInChI=1S/C12H16Br2N2O3S/c1-8-4-11(14)12(5-10(8)13)20(17,18)16-7-9-6-15-2-3-19-9/h4-5,9,15-16H,2-3,6-7H2,1H3
InChIKeyBCNUSRNHFJNSFB-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
CID 115323961
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 106999010
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974
3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323988
2,5-dibromo-4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113464097
2,5-dibromo-4-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 81326902
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
2,5-dibromo-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 81319102
4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 154741903
2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990940
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-(morpholin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide (CID 115323952) is 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCC2CNCCO2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide?
The InChIKey is BCNUSRNHFJNSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-8-4-11(14)12(5-10(8)13)20(17,18)16-7-9-6-15-2-3-19-9/h4-5,9,15-16H,2-3,6-7H2,1H3.
What are the key properties of 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide has a molecular weight of 428.15 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 115323952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).