2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H29ClN2O4S — CID 91912676

IUPAC2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccccc2Cl)CC12CCOCC2
InChIInChI=1S/C21H29ClN2O4S/c22-18-8-4-5-9-19(18)29(26,27)24-14-17(21(15-24)10-12-28-13-11-21)20(25)23-16-6-2-1-3-7-16/h4-5,8-9,16-17H,1-3,6-7,10-15H2,(H,23,25)
InChIKeyWLNGZPKRZYAJNI-UHFFFAOYSA-N
MW440.99 g/mol
LogP3.21
Rot. Bonds4

About 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912676) has the molecular formula C21H29ClN2O4S and a molecular weight of 440.99 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912676
Molecular FormulaC21H29ClN2O4S
Molecular Weight440.99 g/mol
Exact Mass440.15
IUPAC Name2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccccc2Cl)CC12CCOCC2
InChIInChI=1S/C21H29ClN2O4S/c22-18-8-4-5-9-19(18)29(26,27)24-14-17(21(15-24)10-12-28-13-11-21)20(25)23-16-6-2-1-3-7-16/h4-5,8-9,16-17H,1-3,6-7,10-15H2,(H,23,25)
InChIKeyWLNGZPKRZYAJNI-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.99
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912676) is 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NC1CCCCC1)C1CN(S(=O)(=O)c2ccccc2Cl)CC12CCOCC2.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is WLNGZPKRZYAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O4S/c22-18-8-4-5-9-19(18)29(26,27)24-14-17(21(15-24)10-12-28-13-11-21)20(25)23-16-6-2-1-3-7-16/h4-5,8-9,16-17H,1-3,6-7,10-15H2,(H,23,25).
What are the key properties of 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 440.99 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).