N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide

C11H17NO4S2 — CID 94211223

IUPACN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO4S2/c1-4-18(15,16)12-9(2)10-5-7-11(8-6-10)17(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1
InChIKeyPOGCTVUUKRBSRU-VIFPVBQESA-N
MW291.39 g/mol
LogP1.09
Rot. Bonds5

About N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide (PubChem CID 94211223) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
PubChem CID94211223
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC NameN-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO4S2/c1-4-18(15,16)12-9(2)10-5-7-11(8-6-10)17(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1
InChIKeyPOGCTVUUKRBSRU-VIFPVBQESA-N
XLogP1.09
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
3-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]propane-1-sulfonamide
CID 43654382
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
CID 28560656
1-cyclohexyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]methanesulfonamide
CID 95733842
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115576547
2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 43207170
(2R)-2-[1-(4-methylsulfonylphenyl)ethylamino]butan-1-ol
CID 103922580
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide (CID 94211223) is N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide?
The InChIKey is POGCTVUUKRBSRU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-4-18(15,16)12-9(2)10-5-7-11(8-6-10)17(3,13)14/h5-9,12H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide?
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide has a molecular weight of 291.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 94211223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).