N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide

C23H34FNO7S2Si2 — CID 169049664

IUPACN-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide
SMILESC[Si](C)(C)OC[C@H]1O[C@H](N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H](F)C1O[Si](C)(C)C
InChIInChI=1S/C23H34FNO7S2Si2/c1-35(2,3)30-17-20-22(32-36(4,5)6)21(24)23(31-20)25(33(26,27)18-13-9-7-10-14-18)34(28,29)19-15-11-8-12-16-19/h7-16,20-23H,17H2,1-6H3/t20-,21+,22?,23+/m1/s1
InChIKeyCFUGMTXQBLVCPQ-DBSNRUDNSA-N
MW575.83 g/mol
LogP4.20
Rot. Bonds10

About N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide (PubChem CID 169049664) has the molecular formula C23H34FNO7S2Si2 and a molecular weight of 575.83 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide
PubChem CID169049664
Molecular FormulaC23H34FNO7S2Si2
Molecular Weight575.83 g/mol
Exact Mass575.13
IUPAC NameN-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide
SMILESC[Si](C)(C)OC[C@H]1O[C@H](N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H](F)C1O[Si](C)(C)C
InChIInChI=1S/C23H34FNO7S2Si2/c1-35(2,3)30-17-20-22(32-36(4,5)6)21(24)23(31-20)25(33(26,27)18-13-9-7-10-14-18)34(28,29)19-15-11-8-12-16-19/h7-16,20-23H,17H2,1-6H3/t20-,21+,22?,23+/m1/s1
InChIKeyCFUGMTXQBLVCPQ-DBSNRUDNSA-N
XLogP4.20
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.83
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide (CID 169049664) is N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide is C[Si](C)(C)OC[C@H]1O[C@H](N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)[C@@H](F)C1O[Si](C)(C)C.
What is the InChIKey of N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide?
The InChIKey is CFUGMTXQBLVCPQ-DBSNRUDNSA-N. The full InChI is InChI=1S/C23H34FNO7S2Si2/c1-35(2,3)30-17-20-22(32-36(4,5)6)21(24)23(31-20)25(33(26,27)18-13-9-7-10-14-18)34(28,29)19-15-11-8-12-16-19/h7-16,20-23H,17H2,1-6H3/t20-,21+,22?,23+/m1/s1.
What are the key properties of N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide has a molecular weight of 575.83 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(2S,3S,5R)-3-fluoro-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]benzenesulfonamide is sourced from PubChem (CID 169049664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).