3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

C18H21FN2O3S — CID 47023210

IUPAC3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O3S/c19-16-7-4-8-17(13-16)25(22,23)20-14-18(15-5-2-1-3-6-15)21-9-11-24-12-10-21/h1-8,13,18,20H,9-12,14H2
InChIKeyAEKUYCHGGJPMLN-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.18
Rot. Bonds6

About 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide

3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (PubChem CID 47023210) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
PubChem CID47023210
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O3S/c19-16-7-4-8-17(13-16)25(22,23)20-14-18(15-5-2-1-3-6-15)21-9-11-24-12-10-21/h1-8,13,18,20H,9-12,14H2
InChIKeyAEKUYCHGGJPMLN-UHFFFAOYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 94211212
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 52507194
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 32942505
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide (CID 47023210) is 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccccc1)N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
The InChIKey is AEKUYCHGGJPMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-16-7-4-8-17(13-16)25(22,23)20-14-18(15-5-2-1-3-6-15)21-9-11-24-12-10-21/h1-8,13,18,20H,9-12,14H2.
What are the key properties of 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide?
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 47023210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).