N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide

C11H16Cl2N2O2S — CID 55104182

IUPACN-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N(C)CCN)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-7-6-9(12)8(2)11(10(7)13)18(16,17)15(3)5-4-14/h6H,4-5,14H2,1-3H3
InChIKeySUJDKZPIZDRBDQ-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.19
Rot. Bonds4

About N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide

N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide (PubChem CID 55104182) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide
PubChem CID55104182
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC NameN-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N(C)CCN)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-7-6-9(12)8(2)11(10(7)13)18(16,17)15(3)5-4-14/h6H,4-5,14H2,1-3H3
InChIKeySUJDKZPIZDRBDQ-UHFFFAOYSA-N
XLogP2.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide (CID 55104182) is N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)N(C)CCN)c1Cl.
What is the InChIKey of N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide?
The InChIKey is SUJDKZPIZDRBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-7-6-9(12)8(2)11(10(7)13)18(16,17)15(3)5-4-14/h6H,4-5,14H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide?
N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 55104182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).