4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C20H25FN2O3S — CID 16892809

IUPAC4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)ccc1F
InChIInChI=1S/C20H25FN2O3S/c1-16-14-18(8-9-19(16)21)27(24,25)22-10-5-11-23-12-13-26-20(15-23)17-6-3-2-4-7-17/h2-4,6-9,14,20,22H,5,10-13,15H2,1H3
InChIKeyHUUQXGZBXFCXLB-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.88
Rot. Bonds7

About 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 16892809) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID16892809
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)ccc1F
InChIInChI=1S/C20H25FN2O3S/c1-16-14-18(8-9-19(16)21)27(24,25)22-10-5-11-23-12-13-26-20(15-23)17-6-3-2-4-7-17/h2-4,6-9,14,20,22H,5,10-13,15H2,1H3
InChIKeyHUUQXGZBXFCXLB-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
N-[2-fluoro-4-[2-(2-phenylmorpholin-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 16892734
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 16892809) is 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCN2CCOC(c3ccccc3)C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is HUUQXGZBXFCXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-16-14-18(8-9-19(16)21)27(24,25)22-10-5-11-23-12-13-26-20(15-23)17-6-3-2-4-7-17/h2-4,6-9,14,20,22H,5,10-13,15H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 16892809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).