4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

C18H23NO5S2 — CID 94143773

IUPAC4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H23NO5S2/c1-12-10-16(24-4)11-13(2)18(12)26(22,23)19-14(3)15-6-8-17(9-7-15)25(5,20)21/h6-11,14,19H,1-5H3/t14-/m0/s1
InChIKeyLQSBEBVRLFKPER-AWEZNQCLSA-N
MW397.52 g/mol
LogP2.76
Rot. Bonds6

About 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 94143773) has the molecular formula C18H23NO5S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID94143773
Molecular FormulaC18H23NO5S2
Molecular Weight397.52 g/mol
Exact Mass397.10
IUPAC Name4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C18H23NO5S2/c1-12-10-16(24-4)11-13(2)18(12)26(22,23)19-14(3)15-6-8-17(9-7-15)25(5,20)21/h6-11,14,19H,1-5H3/t14-/m0/s1
InChIKeyLQSBEBVRLFKPER-AWEZNQCLSA-N
XLogP2.76
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110731612
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43169502
(2S,3R)-3-hydroxy-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 104935314
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 81368862
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (CID 94143773) is 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LQSBEBVRLFKPER-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23NO5S2/c1-12-10-16(24-4)11-13(2)18(12)26(22,23)19-14(3)15-6-8-17(9-7-15)25(5,20)21/h6-11,14,19H,1-5H3/t14-/m0/s1.
What are the key properties of 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 94143773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).