4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine

C10H15BrN2O2S — CID 79849633

IUPAC4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine
SMILESCN(CCS(C)(=O)=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H15BrN2O2S/c1-13(5-6-16(2,14)15)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyNAOJPNYHYDFHIJ-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.51
Rot. Bonds4

About 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine

4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine (PubChem CID 79849633) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine
PubChem CID79849633
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine
SMILESCN(CCS(C)(=O)=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H15BrN2O2S/c1-13(5-6-16(2,14)15)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyNAOJPNYHYDFHIJ-UHFFFAOYSA-N
XLogP1.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79859437
1-[4-bromo-2-[methyl(2-methylsulfonylethyl)amino]phenyl]ethanol
CID 82971235
4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
CID 65341463
2-bromo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 79850896
4-iodo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849719
4-bromo-2-N-methyl-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 79475851
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 65343114
2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide
CID 114278338
3-amino-4-[methyl(2-methylsulfonylethyl)amino]benzonitrile
CID 79850532
2-bromo-4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 79864416
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine (CID 79849633) is 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine is CN(CCS(C)(=O)=O)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
The InChIKey is NAOJPNYHYDFHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-13(5-6-16(2,14)15)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine?
4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine has a molecular weight of 307.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine is sourced from PubChem (CID 79849633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).