4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide

C20H18Cl2N2O2S — CID 4082378

IUPAC4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O2S/c21-16-6-10-18(11-7-16)24-20(15-4-2-1-3-5-15)14-23-27(25,26)19-12-8-17(22)9-13-19/h1-13,20,23-24H,14H2
InChIKeyAQTWXECSKSZRRN-UHFFFAOYSA-N
MW421.35 g/mol
LogP5.13
Rot. Bonds7

About 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide

4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide (PubChem CID 4082378) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide
PubChem CID4082378
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC Name4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O2S/c21-16-6-10-18(11-7-16)24-20(15-4-2-1-3-5-15)14-23-27(25,26)19-12-8-17(22)9-13-19/h1-13,20,23-24H,14H2
InChIKeyAQTWXECSKSZRRN-UHFFFAOYSA-N
XLogP5.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.35
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide (CID 4082378) is 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide is O=S(=O)(NCC(Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide?
The InChIKey is AQTWXECSKSZRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c21-16-6-10-18(11-7-16)24-20(15-4-2-1-3-5-15)14-23-27(25,26)19-12-8-17(22)9-13-19/h1-13,20,23-24H,14H2.
What are the key properties of 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide has a molecular weight of 421.35 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chloroanilino)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 4082378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).