(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide

C13H18N2O3S — CID 167439578

IUPAC(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C/N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-2-12-3-5-13(6-4-12)19(16,17)14-11-15-7-9-18-10-8-15/h3-6,11H,2,7-10H2,1H3/b14-11+
InChIKeyFTRKVSMBSYNLNT-SDNWHVSQSA-N
MW282.37 g/mol
LogP1.30
Rot. Bonds4

About (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide

(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide (PubChem CID 167439578) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
PubChem CID167439578
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)/N=C/N2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-2-12-3-5-13(6-4-12)19(16,17)14-11-15-7-9-18-10-8-15/h3-6,11H,2,7-10H2,1H3/b14-11+
InChIKeyFTRKVSMBSYNLNT-SDNWHVSQSA-N
XLogP1.30
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide
CID 175091863
(NE)-N-(morpholin-4-ylmethylidene)naphthalene-1-sulfonamide
CID 167439579
4-(4-ethylphenyl)morpholine
CID 20576442
4-[1-(4-ethylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]morpholine
CID 53072028
4-ethyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzenesulfonamide
CID 25419042
[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol
CID 117037610
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422712
N-[1-(4-ethylphenyl)ethyl]morpholine-4-sulfonamide
CID 47141626
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-ethyl-4-methylsulfonylbenzene
CID 143759723

Frequently Asked Questions

What is the IUPAC name of (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide (CID 167439578) is (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide is CCc1ccc(S(=O)(=O)/N=C/N2CCOCC2)cc1.
What is the InChIKey of (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
The InChIKey is FTRKVSMBSYNLNT-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-12-3-5-13(6-4-12)19(16,17)14-11-15-7-9-18-10-8-15/h3-6,11H,2,7-10H2,1H3/b14-11+.
What are the key properties of (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide?
(NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-ethyl-N-(morpholin-4-ylmethylidene)benzenesulfonamide is sourced from PubChem (CID 167439578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).