N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide

C16H19NO2S — CID 95706524

IUPACN-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
SMILESCc1ccc([C@@H](NS(C)(=O)=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-12-9-10-15(13(2)11-12)16(17-20(3,18)19)14-7-5-4-6-8-14/h4-11,16-17H,1-3H3/t16-/m0/s1
InChIKeyPKYDWKKQORZBKE-INIZCTEOSA-N
MW289.40 g/mol
LogP2.94
Rot. Bonds4

About N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide

N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide (PubChem CID 95706524) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
PubChem CID95706524
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide
SMILESCc1ccc([C@@H](NS(C)(=O)=O)c2ccccc2)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-12-9-10-15(13(2)11-12)16(17-20(3,18)19)14-7-5-4-6-8-14/h4-11,16-17H,1-3H3/t16-/m0/s1
InChIKeyPKYDWKKQORZBKE-INIZCTEOSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
N-[5-[[(2,4-dimethylphenyl)-phenylmethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 133219186
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 125063865
1-(4-methylphenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]methanesulfonamide
CID 28573215
2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]butan-1-ol
CID 43101708
2,4-dimethyl-1-[(4-methylphenyl)-phenylmethyl]benzene
CID 22389703
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide?
The IUPAC name of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide (CID 95706524) is N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide.
What is the SMILES notation for N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide?
The canonical SMILES for N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide is Cc1ccc([C@@H](NS(C)(=O)=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide?
The InChIKey is PKYDWKKQORZBKE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-9-10-15(13(2)11-12)16(17-20(3,18)19)14-7-5-4-6-8-14/h4-11,16-17H,1-3H3/t16-/m0/s1.
What are the key properties of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide?
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]methanesulfonamide is sourced from PubChem (CID 95706524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).