5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide

C14H22Cl2N2O2S — CID 79471583

IUPAC5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-10(3)9-18(5-2)21(19,20)14-6-11(8-17)12(15)7-13(14)16/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyYDHXHHRZBIRHNB-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.51
Rot. Bonds7

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

5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79471583) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79471583
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CN)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-10(3)9-18(5-2)21(19,20)14-6-11(8-17)12(15)7-13(14)16/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyYDHXHHRZBIRHNB-UHFFFAOYSA-N
XLogP3.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (CID 79471583) is 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(CN)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is YDHXHHRZBIRHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-4-10(3)9-18(5-2)21(19,20)14-6-11(8-17)12(15)7-13(14)16/h6-7,10H,4-5,8-9,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79471583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).