2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide

C17H21NO3S — CID 95119287

IUPAC2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@@H](C)COc2ccccc2)c1
InChIInChI=1S/C17H21NO3S/c1-13-9-10-14(2)17(11-13)22(19,20)18-15(3)12-21-16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3/t15-/m0/s1
InChIKeyBWHWPEZIZUSGMD-HNNXBMFYSA-N
MW319.43 g/mol
LogP3.05
Rot. Bonds6

About 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide

2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide (PubChem CID 95119287) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
PubChem CID95119287
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N[C@@H](C)COc2ccccc2)c1
InChIInChI=1S/C17H21NO3S/c1-13-9-10-14(2)17(11-13)22(19,20)18-15(3)12-21-16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3/t15-/m0/s1
InChIKeyBWHWPEZIZUSGMD-HNNXBMFYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
N-[(2R)-1-phenoxypropan-2-yl]methanesulfonamide
CID 94192811
N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 86943047
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide
CID 41332371
3,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94639946
N-[1-(3,4-dimethylphenoxy)propan-2-yl]methanesulfonamide
CID 56920264
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide (CID 95119287) is 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)COc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide?
The InChIKey is BWHWPEZIZUSGMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-9-10-14(2)17(11-13)22(19,20)18-15(3)12-21-16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide?
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 95119287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).