N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

C17H21NO2S — CID 30404849

IUPACN-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c([C@H](C)NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO2S/c1-12-10-14(3)17(11-13(12)2)15(4)18-21(19,20)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3/t15-/m0/s1
InChIKeyMHJFNUBUEMDRLY-HNNXBMFYSA-N
MW303.43 g/mol
LogP3.65
Rot. Bonds4

About N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 30404849) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
PubChem CID30404849
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c([C@H](C)NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO2S/c1-12-10-14(3)17(11-13(12)2)15(4)18-21(19,20)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3/t15-/m0/s1
InChIKeyMHJFNUBUEMDRLY-HNNXBMFYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 133217936
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404196
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]methanesulfonamide
CID 30404884
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
2-nitro-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217921
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217988
3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404935
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (CID 30404849) is N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is MHJFNUBUEMDRLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12-10-14(3)17(11-13(12)2)15(4)18-21(19,20)16-8-6-5-7-9-16/h5-11,15,18H,1-4H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 30404849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).