N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide

C18H22N2O3S — CID 51866575

IUPACN-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-24(22,17-9-5-2-6-10-17)19-11-12-20-13-14-23-18(15-20)16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-/m1/s1
InChIKeyMCRSHBAGCQTEJQ-GOSISDBHSA-N
MW346.45 g/mol
LogP2.04
Rot. Bonds6

About N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide

N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (PubChem CID 51866575) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
PubChem CID51866575
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c21-24(22,17-9-5-2-6-10-17)19-11-12-20-13-14-23-18(15-20)16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-/m1/s1
InChIKeyMCRSHBAGCQTEJQ-GOSISDBHSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
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
N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
CID 16892719
N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide
CID 51866598
2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866566
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide (CID 51866575) is N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
The InChIKey is MCRSHBAGCQTEJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-24(22,17-9-5-2-6-10-17)19-11-12-20-13-14-23-18(15-20)16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-/m1/s1.
What are the key properties of N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide?
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 51866575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).