N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide

C20H19ClN2O2S — CID 602841

IUPACN-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC(Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-11-13-19(14-12-17)26(24,25)22-15-20(16-7-3-1-4-8-16)23-18-9-5-2-6-10-18/h1-14,20,22-23H,15H2
InChIKeyZLTYBEKAYYHILM-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.47
Rot. Bonds7

About N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide

N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide (PubChem CID 602841) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide
PubChem CID602841
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC(Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2S/c21-17-11-13-19(14-12-17)26(24,25)22-15-20(16-7-3-1-4-8-16)23-18-9-5-2-6-10-18/h1-14,20,22-23H,15H2
InChIKeyZLTYBEKAYYHILM-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide (CID 602841) is N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide is O=S(=O)(NCC(Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide?
The InChIKey is ZLTYBEKAYYHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-17-11-13-19(14-12-17)26(24,25)22-15-20(16-7-3-1-4-8-16)23-18-9-5-2-6-10-18/h1-14,20,22-23H,15H2.
What are the key properties of N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide?
N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide has a molecular weight of 386.90 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-phenylethyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 602841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).