2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide

C24H27NO4S2 — CID 102155530

IUPAC2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)C(Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H27NO4S2/c1-17-10-12-22(13-11-17)30(26,27)23(16-21-8-6-5-7-9-21)25-31(28,29)24-19(3)14-18(2)15-20(24)4/h5-15,23,25H,16H2,1-4H3
InChIKeyLHBMEIPJYKQHDP-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.24
Rot. Bonds7

About 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide

2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide (PubChem CID 102155530) has the molecular formula C24H27NO4S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
PubChem CID102155530
Molecular FormulaC24H27NO4S2
Molecular Weight457.62 g/mol
Exact Mass457.14
IUPAC Name2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)C(Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C24H27NO4S2/c1-17-10-12-22(13-11-17)30(26,27)23(16-21-8-6-5-7-9-21)25-31(28,29)24-19(3)14-18(2)15-20(24)4/h5-15,23,25H,16H2,1-4H3
InChIKeyLHBMEIPJYKQHDP-UHFFFAOYSA-N
XLogP4.24
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 101115397
2,4,6-trimethyl-N-[(2S)-1-phenylpenta-3,4-dien-2-yl]benzenesulfonamide
CID 11302281
(2S)-N-benzyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646044
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]-2,4,6-trimethylbenzenesulfonamide
CID 102155523
(2S)-3-phenyl-N-prop-2-enyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646026
(2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537366
(2R)-N,N-diethyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30142897
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
benzyl N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]carbamate
CID 14949493
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide (CID 102155530) is 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)C(Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide?
The InChIKey is LHBMEIPJYKQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4S2/c1-17-10-12-22(13-11-17)30(26,27)23(16-21-8-6-5-7-9-21)25-31(28,29)24-19(3)14-18(2)15-20(24)4/h5-15,23,25H,16H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide has a molecular weight of 457.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 102155530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).