N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C14H20N2O4S — CID 2987913

IUPACN-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O4S/c1-2-16(12-14(17)15-8-10-20-11-9-15)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyVENZVCQYQDWOSU-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.56
Rot. Bonds5

About N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 2987913) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID2987913
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O4S/c1-2-16(12-14(17)15-8-10-20-11-9-15)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyVENZVCQYQDWOSU-UHFFFAOYSA-N
XLogP0.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 2987913) is N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is VENZVCQYQDWOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-16(12-14(17)15-8-10-20-11-9-15)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 2987913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).