N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine

C12H19BrN2O2S — CID 114231205

IUPACN'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2O2S/c1-2-15(8-7-14)9-10-18(16,17)12-5-3-11(13)4-6-12/h3-6H,2,7-10,14H2,1H3
InChIKeyVOZHHZLDFZUAST-UHFFFAOYSA-N
MW335.27 g/mol
LogP1.50
Rot. Bonds7

About N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine

N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine (PubChem CID 114231205) has the molecular formula C12H19BrN2O2S and a molecular weight of 335.27 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
PubChem CID114231205
Molecular FormulaC12H19BrN2O2S
Molecular Weight335.27 g/mol
Exact Mass334.04
IUPAC NameN'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H19BrN2O2S/c1-2-15(8-7-14)9-10-18(16,17)12-5-3-11(13)4-6-12/h3-6H,2,7-10,14H2,1H3
InChIKeyVOZHHZLDFZUAST-UHFFFAOYSA-N
XLogP1.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615516
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline
CID 81182264
3-[2-(4-chlorophenyl)sulfonylethyl-ethylamino]propanoic acid
CID 61010760
N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine
CID 66181970
N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine
CID 69274920
2-bromo-5-[2-(diethylamino)ethylsulfonyl]benzoic acid
CID 43140621
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887
2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
CID 51086821
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
2-[2-(4-bromophenyl)sulfonylethyl-methylamino]propanoic acid
CID 55096547
N-[(4-bromophenyl)-methylidene-oxo-λ6-sulfanyl]-N',N'-diethylethane-1,2-diamine
CID 57157578

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine (CID 114231205) is N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine is CCN(CCN)CCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine?
The InChIKey is VOZHHZLDFZUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S/c1-2-15(8-7-14)9-10-18(16,17)12-5-3-11(13)4-6-12/h3-6H,2,7-10,14H2,1H3.
What are the key properties of N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine?
N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine has a molecular weight of 335.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 114231205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).