5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide

C12H18Cl2N2O2S — CID 106058220

IUPAC5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-2-3-4-5-16-19(17,18)12-6-9(8-15)10(13)7-11(12)14/h6-7,16H,2-5,8,15H2,1H3
InChIKeyNBZPMMDYFFHIOI-UHFFFAOYSA-N
MW325.26 g/mol
LogP2.92
Rot. Bonds7

About 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide (PubChem CID 106058220) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
PubChem CID106058220
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-2-3-4-5-16-19(17,18)12-6-9(8-15)10(13)7-11(12)14/h6-7,16H,2-5,8,15H2,1H3
InChIKeyNBZPMMDYFFHIOI-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327509
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
CID 70634654
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077788
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018859
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071940

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide (CID 106058220) is 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide?
The InChIKey is NBZPMMDYFFHIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-2-3-4-5-16-19(17,18)12-6-9(8-15)10(13)7-11(12)14/h6-7,16H,2-5,8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide is sourced from PubChem (CID 106058220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).