1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide

C20H17BrClNO2S — CID 19782275

IUPAC1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide
SMILESCc1ccc(C(Cl)(Br)S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C20H17BrClNO2S/c1-15-11-13-17(14-12-15)20(21,22)26(24,25)23-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,23H,1H3
InChIKeyKCGSQBNMRSAMBP-UHFFFAOYSA-N
MW450.79 g/mol
LogP5.85
Rot. Bonds5

About 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide

1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide (PubChem CID 19782275) has the molecular formula C20H17BrClNO2S and a molecular weight of 450.79 g/mol. Its IUPAC name is 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide
PubChem CID19782275
Molecular FormulaC20H17BrClNO2S
Molecular Weight450.79 g/mol
Exact Mass448.99
IUPAC Name1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide
SMILESCc1ccc(C(Cl)(Br)S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C20H17BrClNO2S/c1-15-11-13-17(14-12-15)20(21,22)26(24,25)23-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,23H,1H3
InChIKeyKCGSQBNMRSAMBP-UHFFFAOYSA-N
XLogP5.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide?
The IUPAC name of 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide (CID 19782275) is 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide is Cc1ccc(C(Cl)(Br)S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide?
The InChIKey is KCGSQBNMRSAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClNO2S/c1-15-11-13-17(14-12-15)20(21,22)26(24,25)23-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,23H,1H3.
What are the key properties of 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide?
1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide has a molecular weight of 450.79 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-1-(4-methylphenyl)-N-(2-phenylphenyl)methanesulfonamide is sourced from PubChem (CID 19782275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).