N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide

C21H20Cl2N2O2S — CID 51356051

IUPACN-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-15-2-12-20(13-3-15)28(26,27)24-14-21(16-4-6-17(22)7-5-16)25-19-10-8-18(23)9-11-19/h2-13,21,24-25H,14H2,1H3
InChIKeyRTOBMEDLFCGNAS-UHFFFAOYSA-N
MW435.38 g/mol
LogP5.43
Rot. Bonds7

About N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide

N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 51356051) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID51356051
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC NameN-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-15-2-12-20(13-3-15)28(26,27)24-14-21(16-4-6-17(22)7-5-16)25-19-10-8-18(23)9-11-19/h2-13,21,24-25H,14H2,1H3
InChIKeyRTOBMEDLFCGNAS-UHFFFAOYSA-N
XLogP5.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenoxy)anilino]-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
CID 59485820
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 71663028
N-[2-(4-tert-butylphenyl)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 163217185
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]butyl]-4-methylbenzenesulfonamide
CID 177474536
N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
CID 51356515
N-[2-(4-chlorophenyl)-2-(2,4,6-trimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 23649731
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55377378
N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 11245057
4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (CID 51356051) is N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is RTOBMEDLFCGNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-15-2-12-20(13-3-15)28(26,27)24-14-21(16-4-6-17(22)7-5-16)25-19-10-8-18(23)9-11-19/h2-13,21,24-25H,14H2,1H3.
What are the key properties of N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 435.38 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51356051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).