(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium

C18H22FN2O3S+ — CID 9440631

IUPAC(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium
SMILESO=S(=O)(c1ccc(C[NH2+]Cc2ccccc2F)cc1)N1CCOCC1
InChIInChI=1S/C18H21FN2O3S/c19-18-4-2-1-3-16(18)14-20-13-15-5-7-17(8-6-15)25(22,23)21-9-11-24-12-10-21/h1-8,20H,9-14H2/p+1
InChIKeyDPHKDAVJYRJUNG-UHFFFAOYSA-O
MW365.45 g/mol
LogP1.11
Rot. Bonds6

About (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium

(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium (PubChem CID 9440631) has the molecular formula C18H22FN2O3S+ and a molecular weight of 365.45 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium
PubChem CID9440631
Molecular FormulaC18H22FN2O3S+
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium
SMILESO=S(=O)(c1ccc(C[NH2+]Cc2ccccc2F)cc1)N1CCOCC1
InChIInChI=1S/C18H21FN2O3S/c19-18-4-2-1-3-16(18)14-20-13-15-5-7-17(8-6-15)25(22,23)21-9-11-24-12-10-21/h1-8,20H,9-14H2/p+1
InChIKeyDPHKDAVJYRJUNG-UHFFFAOYSA-O
XLogP1.11
TPSA63.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 30506440
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
CID 39413041
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)methanamine
CID 27656588
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2568864
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
4-[4-(3-chloropropyl)phenyl]sulfonylmorpholine
CID 28719609
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
1-[3-(2-fluorophenyl)propyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 110602325

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium?
The IUPAC name of (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium (CID 9440631) is (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium.
What is the SMILES notation for (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium?
The canonical SMILES for (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium is O=S(=O)(c1ccc(C[NH2+]Cc2ccccc2F)cc1)N1CCOCC1.
What is the InChIKey of (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium?
The InChIKey is DPHKDAVJYRJUNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN2O3S/c19-18-4-2-1-3-16(18)14-20-13-15-5-7-17(8-6-15)25(22,23)21-9-11-24-12-10-21/h1-8,20H,9-14H2/p+1.
What are the key properties of (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium?
(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium has a molecular weight of 365.45 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium is sourced from PubChem (CID 9440631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).