N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide

C19H22N2O4S — CID 110354508

IUPACN,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C19H22N2O4S/c1-20(2)26(23,24)17-10-6-9-16(13-17)19(22)21-11-12-25-18(14-21)15-7-4-3-5-8-15/h3-10,13,18H,11-12,14H2,1-2H3
InChIKeyYEPOETFGAXZRRJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.15
Rot. Bonds4

About N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide

N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110354508) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
PubChem CID110354508
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N2CCOC(c3ccccc3)C2)c1
InChIInChI=1S/C19H22N2O4S/c1-20(2)26(23,24)17-10-6-9-16(13-17)19(22)21-11-12-25-18(14-21)15-7-4-3-5-8-15/h3-10,13,18H,11-12,14H2,1-2H3
InChIKeyYEPOETFGAXZRRJ-UHFFFAOYSA-N
XLogP2.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070657
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
CID 43057359
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 120748729
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 120744386
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]methanone
CID 55948015
[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 46181226
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
tert-butyl N-[3-(2-phenylmorpholine-4-carbonyl)phenyl]carbamate
CID 134039996
(1-methylindol-6-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51972804

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide (CID 110354508) is N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(C(=O)N2CCOC(c3ccccc3)C2)c1.
What is the InChIKey of N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is YEPOETFGAXZRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20(2)26(23,24)17-10-6-9-16(13-17)19(22)21-11-12-25-18(14-21)15-7-4-3-5-8-15/h3-10,13,18H,11-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide?
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110354508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).