4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C20H30ClN3O4S — CID 5323496

IUPAC4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O4S/c21-18-5-7-19(8-6-18)29(26,27)23-15-16-1-3-17(4-2-16)20(25)22-9-10-24-11-13-28-14-12-24/h5-8,16-17,23H,1-4,9-15H2,(H,22,25)
InChIKeySZOZLHVZOJRHCZ-UHFFFAOYSA-N
MW444.00 g/mol
LogP1.87
Rot. Bonds8

About 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 5323496) has the molecular formula C20H30ClN3O4S and a molecular weight of 444.00 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID5323496
Molecular FormulaC20H30ClN3O4S
Molecular Weight444.00 g/mol
Exact Mass443.16
IUPAC Name4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O4S/c21-18-5-7-19(8-6-18)29(26,27)23-15-16-1-3-17(4-2-16)20(25)22-9-10-24-11-13-28-14-12-24/h5-8,16-17,23H,1-4,9-15H2,(H,22,25)
InChIKeySZOZLHVZOJRHCZ-UHFFFAOYSA-N
XLogP1.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.00
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 5323496) is 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is O=C(NCCN1CCOCC1)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is SZOZLHVZOJRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O4S/c21-18-5-7-19(8-6-18)29(26,27)23-15-16-1-3-17(4-2-16)20(25)22-9-10-24-11-13-28-14-12-24/h5-8,16-17,23H,1-4,9-15H2,(H,22,25).
What are the key properties of 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 444.00 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 5323496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).