2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C14H18Cl2N2O4S — CID 2988286

IUPAC2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-2-18(10-14(19)17-5-7-22-8-6-17)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyBWNXSGMKVYNXBS-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.86
Rot. Bonds5

About 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 2988286) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID2988286
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-2-18(10-14(19)17-5-7-22-8-6-17)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3
InChIKeyBWNXSGMKVYNXBS-UHFFFAOYSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 2988286) is 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is BWNXSGMKVYNXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-2-18(10-14(19)17-5-7-22-8-6-17)23(20,21)13-9-11(15)3-4-12(13)16/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 381.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 2988286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).