N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide

C16H24N2O5S2 — CID 1456425

IUPACN-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O5S2/c19-24(20,17-14-5-2-1-3-6-14)15-7-4-8-16(13-15)25(21,22)18-9-11-23-12-10-18/h4,7-8,13-14,17H,1-3,5-6,9-12H2
InChIKeyUJXXGIKODYPAKI-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.32
Rot. Bonds5

About N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide

N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 1456425) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID1456425
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC NameN-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O5S2/c19-24(20,17-14-5-2-1-3-6-14)15-7-4-8-16(13-15)25(21,22)18-9-11-23-12-10-18/h4,7-8,13-14,17H,1-3,5-6,9-12H2
InChIKeyUJXXGIKODYPAKI-UHFFFAOYSA-N
XLogP1.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide (CID 1456425) is N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is UJXXGIKODYPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c19-24(20,17-14-5-2-1-3-6-14)15-7-4-8-16(13-15)25(21,22)18-9-11-23-12-10-18/h4,7-8,13-14,17H,1-3,5-6,9-12H2.
What are the key properties of N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 388.51 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 1456425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).