5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide

C13H20Cl2N2O2S — CID 106018859

IUPAC5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CN)c(Cl)cc1Cl)C(C)C
InChIInChI=1S/C13H20Cl2N2O2S/c1-4-12(8(2)3)17-20(18,19)13-5-9(7-16)10(14)6-11(13)15/h5-6,8,12,17H,4,7,16H2,1-3H3
InChIKeySYXRLUDFDMOWMR-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.16
Rot. Bonds6

About 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106018859) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
PubChem CID106018859
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CN)c(Cl)cc1Cl)C(C)C
InChIInChI=1S/C13H20Cl2N2O2S/c1-4-12(8(2)3)17-20(18,19)13-5-9(7-16)10(14)6-11(13)15/h5-6,8,12,17H,4,7,16H2,1-3H3
InChIKeySYXRLUDFDMOWMR-UHFFFAOYSA-N
XLogP3.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide (CID 106018859) is 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1cc(CN)c(Cl)cc1Cl)C(C)C.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is SYXRLUDFDMOWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-4-12(8(2)3)17-20(18,19)13-5-9(7-16)10(14)6-11(13)15/h5-6,8,12,17H,4,7,16H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 339.29 g/mol, XLogP of 3.16, 6 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-(2-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106018859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).