N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide

C20H24N2O4S — CID 37478178

IUPACN-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-22(16-17-6-4-3-5-7-17)27(24,25)19-10-8-18(9-11-19)20(23)21-12-14-26-15-13-21/h3-11H,2,12-16H2,1H3
InChIKeyBRQXKDDYLKSAHM-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.37
Rot. Bonds6

About N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide

N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 37478178) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID37478178
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-22(16-17-6-4-3-5-7-17)27(24,25)19-10-8-18(9-11-19)20(23)21-12-14-26-15-13-21/h3-11H,2,12-16H2,1H3
InChIKeyBRQXKDDYLKSAHM-UHFFFAOYSA-N
XLogP2.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-benzyl-N-ethylbenzenesulfonamide
CID 12005792
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372439
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-ethyl-4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 43981833
N-benzyl-4-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 43982035
N-(1-aminopropan-2-yl)-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119982357
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid
CID 100553237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 37478178) is N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is BRQXKDDYLKSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-22(16-17-6-4-3-5-7-17)27(24,25)19-10-8-18(9-11-19)20(23)21-12-14-26-15-13-21/h3-11H,2,12-16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide?
N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 37478178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).