N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H21F3N2O4S — CID 24815911

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C19H21F3N2O4S/c1-2-24-11-12-27-18(13-24)14-3-5-15(6-4-14)23-29(25,26)17-9-7-16(8-10-17)28-19(20,21)22/h3-10,18,23H,2,11-13H2,1H3
InChIKeyDDFJBVIYJHIXSR-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.78
Rot. Bonds6

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 24815911) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID24815911
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)C1
InChIInChI=1S/C19H21F3N2O4S/c1-2-24-11-12-27-18(13-24)14-3-5-15(6-4-14)23-29(25,26)17-9-7-16(8-10-17)28-19(20,21)22/h3-10,18,23H,2,11-13H2,1H3
InChIKeyDDFJBVIYJHIXSR-UHFFFAOYSA-N
XLogP3.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816326
4-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816093
N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 24816089
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 24815719
2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816169
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
3-chloro-N-[4-(4-ethylmorpholin-2-yl)phenyl]propane-1-sulfonamide
CID 24816324
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 24815911) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DDFJBVIYJHIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-2-24-11-12-27-18(13-24)14-3-5-15(6-4-14)23-29(25,26)17-9-7-16(8-10-17)28-19(20,21)22/h3-10,18,23H,2,11-13H2,1H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 430.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 24815911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).