2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

C14H13F3N2O3S — CID 11359945

IUPAC2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O
InChIInChI=1S/C14H13F3N2O3S/c1-22-13-8-10(4-7-12(13)19-23(18,20)21)9-2-5-11(6-3-9)14(15,16)17/h2-8,19H,1H3,(H2,18,20,21)
InChIKeyZNAIQOBKWALHTM-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.00
Rot. Bonds4

About 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 11359945) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID11359945
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O
InChIInChI=1S/C14H13F3N2O3S/c1-22-13-8-10(4-7-12(13)19-23(18,20)21)9-2-5-11(6-3-9)14(15,16)17/h2-8,19H,1H3,(H2,18,20,21)
InChIKeyZNAIQOBKWALHTM-UHFFFAOYSA-N
XLogP3.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3'-Dimethoxybenzidine-4,4'-diisocyanate
CID 7069
Dianisidine
CID 8411
o-Dianisidine dihydrochloride
CID 62311
o-Dianisidine hydrochloride
CID 12309823
3,3'-Diethoxybiphenyl-4,4'-diamine
CID 974772
N-[3-hydroxy-4'-(trifluoromethyl)-4-biphenylyl]sulfamide
CID 11232827
N-[4'-(trifluoromethoxy)-4-biphenylyl]methanesulfonamide
CID 11348100
4-[(E)-2-[3-[(E)-2-(4-amino-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline
CID 24785954
Benzenamine, 4,4'-methylenebis(2-methoxy-
CID 458828
2-(Benzyloxy)-4-methylaniline
CID 10987611
5-Phenyl-o-anisidine
CID 123489
2-Methoxy-p-toluidine
CID 170219

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (CID 11359945) is 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O.
What is the InChIKey of 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is ZNAIQOBKWALHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-22-13-8-10(4-7-12(13)19-23(18,20)21)9-2-5-11(6-3-9)14(15,16)17/h2-8,19H,1H3,(H2,18,20,21).
What are the key properties of 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 346.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 11359945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).