4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide

C20H18BrNO2S — CID 166373629

IUPAC4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Br
InChIInChI=1S/C20H18BrNO2S/c1-14-13-20(15(2)12-18(14)21)25(23,24)22-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-13,22H,1-2H3
InChIKeyPNMVZPZGFLNPBH-UHFFFAOYSA-N
MW416.34 g/mol
LogP5.53
Rot. Bonds4

About 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide

4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 166373629) has the molecular formula C20H18BrNO2S and a molecular weight of 416.34 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID166373629
Molecular FormulaC20H18BrNO2S
Molecular Weight416.34 g/mol
Exact Mass415.02
IUPAC Name4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Br
InChIInChI=1S/C20H18BrNO2S/c1-14-13-20(15(2)12-18(14)21)25(23,24)22-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-13,22H,1-2H3
InChIKeyPNMVZPZGFLNPBH-UHFFFAOYSA-N
XLogP5.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.34
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166324507
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 166324508

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide (CID 166373629) is 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)cc1Br.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is PNMVZPZGFLNPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2S/c1-14-13-20(15(2)12-18(14)21)25(23,24)22-19-11-7-6-10-17(19)16-8-4-3-5-9-16/h3-13,22H,1-2H3.
What are the key properties of 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide?
4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 416.34 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 166373629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).