2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine

C10H14Cl2N2O2S — CID 106890224

IUPAC2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine
SMILESCS(=O)(=O)CCCNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-17(15,16)4-2-3-14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyWKONOYNSZJKYOP-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.42
Rot. Bonds5

About 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine

2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine (PubChem CID 106890224) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine
PubChem CID106890224
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine
SMILESCS(=O)(=O)CCCNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-17(15,16)4-2-3-14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyWKONOYNSZJKYOP-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-N-(3-methylsulfonylpropyl)aniline
CID 63190712
2-chloro-4,6-difluoro-N-(3-methylsulfonylpropyl)aniline
CID 82889250
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
methyl 3-(4-amino-2,6-dichloroanilino)propanoate
CID 106890049
tert-butyl N-[3-(4-amino-2,6-dichloroanilino)propyl]carbamate
CID 106890847
5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106341908
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
2-chloro-N-(3-methylsulfonylpropyl)-5-(trifluoromethyl)aniline
CID 63190461
2-bromo-5-chloro-N-(3-methylsulfonylpropyl)aniline
CID 81281116
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231
methyl 5-amino-3-chloro-2-(4-methoxybutylamino)benzoate
CID 107195444
1-N-[2-[4-[(1Z)-buta-1,3-dienyl]-2,5-dimethyl-1H-pyrrol-3-yl]ethyl]-2,6-dichlorobenzene-1,4-diamine
CID 126603042

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine (CID 106890224) is 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine is CS(=O)(=O)CCCNc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine?
The InChIKey is WKONOYNSZJKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-17(15,16)4-2-3-14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine has a molecular weight of 297.21 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(3-methylsulfonylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 106890224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).