N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide

C12H19NO4S2 — CID 110790782

IUPACN-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
SMILESCC(C)S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO4S2/c1-10(2)19(16,17)12-6-4-11(5-7-12)8-9-13-18(3,14)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyGHAHKUDGHMZMJI-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.96
Rot. Bonds6

About N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide

N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide (PubChem CID 110790782) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
PubChem CID110790782
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC NameN-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide
SMILESCC(C)S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO4S2/c1-10(2)19(16,17)12-6-4-11(5-7-12)8-9-13-18(3,14)15/h4-7,10,13H,8-9H2,1-3H3
InChIKeyGHAHKUDGHMZMJI-UHFFFAOYSA-N
XLogP0.96
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
CID 110790785
[2-(4-propan-2-ylsulfonylphenyl)ethylamino]methanol
CID 115229349
N,N-diethyl-4-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 30126219
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
1-(2,2-dimethylpropyl)-3-[2-(4-propan-2-ylsulfonylphenyl)ethyl]urea
CID 110776126
1-pent-3-ynyl-4-propan-2-ylsulfonylbenzene
CID 83927091
2-fluoro-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]benzamide
CID 110790773
4-(2-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 79185763
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
[(4-propan-2-ylsulfonylphenyl)methylamino]methanethiol
CID 115227962
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide (CID 110790782) is N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide is CC(C)S(=O)(=O)c1ccc(CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide?
The InChIKey is GHAHKUDGHMZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-10(2)19(16,17)12-6-4-11(5-7-12)8-9-13-18(3,14)15/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide?
N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide has a molecular weight of 305.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 110790782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).