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

C10H15BrN2O2S — CID 69274920

IUPACN'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine
SMILESNCCNCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2O2S/c11-9-1-3-10(4-2-9)16(14,15)8-7-13-6-5-12/h1-4,13H,5-8,12H2
InChIKeyNCYAPYUDNZXILK-UHFFFAOYSA-N
MW307.21 g/mol
LogP0.77
Rot. Bonds6

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

N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine (PubChem CID 69274920) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine
PubChem CID69274920
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC NameN'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine
SMILESNCCNCCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2O2S/c11-9-1-3-10(4-2-9)16(14,15)8-7-13-6-5-12/h1-4,13H,5-8,12H2
InChIKeyNCYAPYUDNZXILK-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenyl)sulfonylethyl]-4-methylpentan-1-amine
CID 102672211
N-[2-(4-bromophenyl)sulfonylethyl]-2-methoxyethanamine
CID 103603052
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
ethyl 4-[2-(4-bromophenyl)sulfonylethylamino]butanoate
CID 60661355
N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
CID 114231205
4-(4-bromophenyl)sulfonylbutanenitrile
CID 64690379
4-[2-(ethylamino)ethylsulfonyl]aniline
CID 154432818
4-[2-(4-bromoanilino)ethylsulfonyl]benzonitrile
CID 79497590
2-[2-(4-bromophenyl)sulfonylethylamino]-3-methylbutanoic acid
CID 43468745
2-[(4-bromophenyl)sulfonimidoyl]ethanamine;hydrochloride
CID 155821017
N-[2-(4-chlorophenyl)sulfonylethyl]-3-ethoxypropan-1-amine
CID 103603111
5-[4-(4-bromophenyl)phenyl]sulfonyl-N-propan-2-ylpentan-1-amine
CID 123567383

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine (CID 69274920) is N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine is NCCNCCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine?
The InChIKey is NCYAPYUDNZXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c11-9-1-3-10(4-2-9)16(14,15)8-7-13-6-5-12/h1-4,13H,5-8,12H2.
What are the key properties of N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine?
N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine has a molecular weight of 307.21 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)sulfonylethyl]ethane-1,2-diamine is sourced from PubChem (CID 69274920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).