N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide

C17H21ClN2O2S — CID 120895354

IUPACN-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O2S/c1-14-7-8-17(16(18)13-14)23(21,22)20(12-10-19)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,19H2,1H3
InChIKeyGDZORUOAGFYDEC-UHFFFAOYSA-N
MW352.89 g/mol
LogP2.84
Rot. Bonds7

About N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide

N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 120895354) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID120895354
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H21ClN2O2S/c1-14-7-8-17(16(18)13-14)23(21,22)20(12-10-19)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,19H2,1H3
InChIKeyGDZORUOAGFYDEC-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 52.84
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-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 120895354) is N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCN)CCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is GDZORUOAGFYDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-14-7-8-17(16(18)13-14)23(21,22)20(12-10-19)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,19H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 352.89 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 120895354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).