5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide

C13H20Cl2N2O2S — CID 106055367

IUPAC5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-3-5-10(4-2)17-20(18,19)13-6-9(8-16)11(14)7-12(13)15/h6-7,10,17H,3-5,8,16H2,1-2H3
InChIKeyUXQCZFWWJRUQPT-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.31
Rot. Bonds7

About 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide (PubChem CID 106055367) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
PubChem CID106055367
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-3-5-10(4-2)17-20(18,19)13-6-9(8-16)11(14)7-12(13)15/h6-7,10,17H,3-5,8,16H2,1-2H3
InChIKeyUXQCZFWWJRUQPT-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018859
5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
CID 106058220
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327509
5-amino-2-chloro-4-methyl-N-octan-4-ylbenzenesulfonamide
CID 106022168
3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077788
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 106068509
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide (CID 106055367) is 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CN)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide?
The InChIKey is UXQCZFWWJRUQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-3-5-10(4-2)17-20(18,19)13-6-9(8-16)11(14)7-12(13)15/h6-7,10,17H,3-5,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide has a molecular weight of 339.29 g/mol, XLogP of 3.31, 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-hexan-3-ylbenzenesulfonamide is sourced from PubChem (CID 106055367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).