2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide

C12H16F3NO4S — CID 166238257

IUPAC2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)OC
InChIInChI=1S/C12H16F3NO4S/c1-3-10(19-2)8-21(17,18)16-9-4-6-11(7-5-9)20-12(13,14)15/h4-7,10,16H,3,8H2,1-2H3
InChIKeyULESUSPEDNHVGL-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.75
Rot. Bonds7

About 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide

2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide (PubChem CID 166238257) has the molecular formula C12H16F3NO4S and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide
PubChem CID166238257
Molecular FormulaC12H16F3NO4S
Molecular Weight327.32 g/mol
Exact Mass327.08
IUPAC Name2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)OC
InChIInChI=1S/C12H16F3NO4S/c1-3-10(19-2)8-21(17,18)16-9-4-6-11(7-5-9)20-12(13,14)15/h4-7,10,16H,3,8H2,1-2H3
InChIKeyULESUSPEDNHVGL-UHFFFAOYSA-N
XLogP2.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
5-(2-methoxybutylsulfonylamino)pyridine-2-sulfonamide
CID 126833412
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(3-methylpentan-2-yl)-4-(trifluoromethoxy)aniline
CID 43095630
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-tert-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonylaniline
CID 22358258
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide?
The IUPAC name of 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide (CID 166238257) is 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide?
The canonical SMILES for 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide is CCC(CS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)OC.
What is the InChIKey of 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide?
The InChIKey is ULESUSPEDNHVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO4S/c1-3-10(19-2)8-21(17,18)16-9-4-6-11(7-5-9)20-12(13,14)15/h4-7,10,16H,3,8H2,1-2H3.
What are the key properties of 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide?
2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide has a molecular weight of 327.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(trifluoromethoxy)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 166238257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).