3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C18H20ClFN2O3S — CID 16892691

IUPAC3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c19-16-12-15(6-7-17(16)20)26(23,24)21-8-9-22-10-11-25-18(13-22)14-4-2-1-3-5-14/h1-7,12,18,21H,8-11,13H2
InChIKeyIRNLEKGVPCSYPY-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.83
Rot. Bonds6

About 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16892691) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16892691
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c19-16-12-15(6-7-17(16)20)26(23,24)21-8-9-22-10-11-25-18(13-22)14-4-2-1-3-5-14/h1-7,12,18,21H,8-11,13H2
InChIKeyIRNLEKGVPCSYPY-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
N-[2-fluoro-4-[2-(2-phenylmorpholin-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 16892734
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16892861
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16892691) is 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCOC(c2ccccc2)C1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is IRNLEKGVPCSYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c19-16-12-15(6-7-17(16)20)26(23,24)21-8-9-22-10-11-25-18(13-22)14-4-2-1-3-5-14/h1-7,12,18,21H,8-11,13H2.
What are the key properties of 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 398.89 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16892691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).