2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline

C19H23FN2O4S — CID 112811144

IUPAC2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(2)21-18-13-17(27(23,24)22-9-11-25-12-10-22)7-8-19(18)26-16-5-3-15(20)4-6-16/h3-8,13-14,21H,9-12H2,1-2H3
InChIKeyMRMOXXOCDJGGNR-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline

2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline (PubChem CID 112811144) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline
PubChem CID112811144
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(2)21-18-13-17(27(23,24)22-9-11-25-12-10-22)7-8-19(18)26-16-5-3-15(20)4-6-16/h3-8,13-14,21H,9-12H2,1-2H3
InChIKeyMRMOXXOCDJGGNR-UHFFFAOYSA-N
XLogP3.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide
CID 30659876
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
CID 28579503
4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077650
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline?
The IUPAC name of 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline (CID 112811144) is 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline?
The canonical SMILES for 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline is CC(C)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline?
The InChIKey is MRMOXXOCDJGGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14(2)21-18-13-17(27(23,24)22-9-11-25-12-10-22)7-8-19(18)26-16-5-3-15(20)4-6-16/h3-8,13-14,21H,9-12H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline?
2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline has a molecular weight of 394.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline is sourced from PubChem (CID 112811144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).