4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

C20H21F2N3O4S — CID 57403243

IUPAC4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(OCCN2S(=O)(=O)c2ccccc2)C(F)(F)C1
InChIInChI=1S/C20H21F2N3O4S/c21-19(22)15-24(18(26)23-16-7-3-1-4-8-16)12-11-20(19)25(13-14-29-20)30(27,28)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,23,26)
InChIKeyAPTFLOPURRQKRQ-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.98
Rot. Bonds3

About 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide

4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 57403243) has the molecular formula C20H21F2N3O4S and a molecular weight of 437.47 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID57403243
Molecular FormulaC20H21F2N3O4S
Molecular Weight437.47 g/mol
Exact Mass437.12
IUPAC Name4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(OCCN2S(=O)(=O)c2ccccc2)C(F)(F)C1
InChIInChI=1S/C20H21F2N3O4S/c21-19(22)15-24(18(26)23-16-7-3-1-4-8-16)12-11-20(19)25(13-14-29-20)30(27,28)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,23,26)
InChIKeyAPTFLOPURRQKRQ-UHFFFAOYSA-N
XLogP2.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 57403243) is 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccccc1)N1CCC2(OCCN2S(=O)(=O)c2ccccc2)C(F)(F)C1.
What is the InChIKey of 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is APTFLOPURRQKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4S/c21-19(22)15-24(18(26)23-16-7-3-1-4-8-16)12-11-20(19)25(13-14-29-20)30(27,28)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,23,26).
What are the key properties of 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide?
4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 57403243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).