N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide

C18H26N2O5S2 — CID 651061

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O5S2/c21-26(22,19-10-9-16-5-2-1-3-6-16)17-7-4-8-18(15-17)27(23,24)20-11-13-25-14-12-20/h4-5,7-8,15,19H,1-3,6,9-14H2
InChIKeyOZCKAFXDWKYMQF-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 651061) has the molecular formula C18H26N2O5S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID651061
Molecular FormulaC18H26N2O5S2
Molecular Weight414.55 g/mol
Exact Mass414.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O5S2/c21-26(22,19-10-9-16-5-2-1-3-6-16)17-7-4-8-18(15-17)27(23,24)20-11-13-25-14-12-20/h4-5,7-8,15,19H,1-3,6,9-14H2
InChIKeyOZCKAFXDWKYMQF-UHFFFAOYSA-N
XLogP1.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide (CID 651061) is N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide is O=S(=O)(NCCC1=CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is OZCKAFXDWKYMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S2/c21-26(22,19-10-9-16-5-2-1-3-6-16)17-7-4-8-18(15-17)27(23,24)20-11-13-25-14-12-20/h4-5,7-8,15,19H,1-3,6,9-14H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 414.55 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 651061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).