3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

C18H21ClN2O3S — CID 8844981

IUPAC3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c19-16-7-4-8-17(13-16)25(22,23)20-18(15-5-2-1-3-6-15)14-21-9-11-24-12-10-21/h1-8,13,18,20H,9-12,14H2/t18-/m0/s1
InChIKeyULMPWBPMUYGYDC-SFHVURJKSA-N
MW380.90 g/mol
LogP2.69
Rot. Bonds6

About 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide

3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (PubChem CID 8844981) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
PubChem CID8844981
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c19-16-7-4-8-17(13-16)25(22,23)20-18(15-5-2-1-3-6-15)14-21-9-11-24-12-10-21/h1-8,13,18,20H,9-12,14H2/t18-/m0/s1
InChIKeyULMPWBPMUYGYDC-SFHVURJKSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8844992
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
2,3,4-trifluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845093
2,5-difluoro-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845190
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 8844524
3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417469
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
3-(benzylsulfamoyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444209
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide (CID 8844981) is 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
The InChIKey is ULMPWBPMUYGYDC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-16-7-4-8-17(13-16)25(22,23)20-18(15-5-2-1-3-6-15)14-21-9-11-24-12-10-21/h1-8,13,18,20H,9-12,14H2/t18-/m0/s1.
What are the key properties of 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide?
3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 8844981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).