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

C21H21ClN2O2S — CID 2898209

IUPAC4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-16-7-11-19(12-8-16)24-21(17-5-3-2-4-6-17)15-23-27(25,26)20-13-9-18(22)10-14-20/h2-14,21,23-24H,15H2,1H3
InChIKeyUURMYOCEFKNIOC-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.78
Rot. Bonds7

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

4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide (PubChem CID 2898209) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide
PubChem CID2898209
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-16-7-11-19(12-8-16)24-21(17-5-3-2-4-6-17)15-23-27(25,26)20-13-9-18(22)10-14-20/h2-14,21,23-24H,15H2,1H3
InChIKeyUURMYOCEFKNIOC-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.78
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-methylanilino)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide (CID 2898209) is 4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide is Cc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide?
The InChIKey is UURMYOCEFKNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-16-7-11-19(12-8-16)24-21(17-5-3-2-4-6-17)15-23-27(25,26)20-13-9-18(22)10-14-20/h2-14,21,23-24H,15H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[2-(4-methylanilino)-2-phenylethyl]benzenesulfonamide has a molecular weight of 400.93 g/mol, XLogP of 4.78, 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-methylanilino)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 2898209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).