5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide

C14H22Cl2N2O2S — CID 115327509

IUPAC5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-10(2)5-3-4-6-18-21(19,20)14-7-11(9-17)12(15)8-13(14)16/h7-8,10,18H,3-6,9,17H2,1-2H3
InChIKeyPSEUYFDPONHEQJ-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.56
Rot. Bonds8

About 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide (PubChem CID 115327509) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
PubChem CID115327509
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-10(2)5-3-4-6-18-21(19,20)14-7-11(9-17)12(15)8-13(14)16/h7-8,10,18H,3-6,9,17H2,1-2H3
InChIKeyPSEUYFDPONHEQJ-UHFFFAOYSA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.56
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-pentylbenzenesulfonamide
CID 106058220
5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327519
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077788
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652
2-chloro-N-(5-methylhexyl)-5-nitrobenzenesulfonamide
CID 115325250
3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018859
3-(aminomethyl)-4-fluoro-N-(5-methylhexyl)benzenesulfonamide
CID 115325164
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 82878621

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide (CID 115327509) is 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide is CC(C)CCCCNS(=O)(=O)c1cc(CN)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide?
The InChIKey is PSEUYFDPONHEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-10(2)5-3-4-6-18-21(19,20)14-7-11(9-17)12(15)8-13(14)16/h7-8,10,18H,3-6,9,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.56, 8 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-(5-methylhexyl)benzenesulfonamide is sourced from PubChem (CID 115327509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).