ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide

C10H14F3NO5S2 — CID 144895796

IUPACethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESCC.COc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO5S2.C2H6/c1-17-6-2-4-7(5-3-6)18(13,14)12-19(15,16)8(9,10)11;1-2/h2-5,12H,1H3;1-2H3
InChIKeyJMGXQRZBDGPOAO-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.85
Rot. Bonds4

About ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide

ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide (PubChem CID 144895796) has the molecular formula C10H14F3NO5S2 and a molecular weight of 349.35 g/mol. Its IUPAC name is ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound Nameethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
PubChem CID144895796
Molecular FormulaC10H14F3NO5S2
Molecular Weight349.35 g/mol
Exact Mass349.03
IUPAC Nameethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESCC.COc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO5S2.C2H6/c1-17-6-2-4-7(5-3-6)18(13,14)12-19(15,16)8(9,10)11;1-2/h2-5,12H,1H3;1-2H3
InChIKeyJMGXQRZBDGPOAO-UHFFFAOYSA-N
XLogP1.85
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 89334005
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide
CID 139422293
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
lithium;hydride;(4-methoxyphenyl) N-(trifluoromethylsulfonyl)carbamate
CID 175482443
1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
CID 129295019
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
1-methoxy-4-(trifluoromethylsulfonylmethylsulfonyl)benzene
CID 1482939
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide (CID 144895796) is ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide is CC.COc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is JMGXQRZBDGPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO5S2.C2H6/c1-17-6-2-4-7(5-3-6)18(13,14)12-19(15,16)8(9,10)11;1-2/h2-5,12H,1H3;1-2H3.
What are the key properties of ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide?
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 349.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 144895796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).