N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide

C18H20FNO3S — CID 94640588

IUPACN-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C18H20FNO3S/c19-16-10-8-15(9-11-16)18(17-7-4-12-23-17)20-24(21,22)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2/t17-,18+/m1/s1
InChIKeyHNISHHVKKFCTFR-MSOLQXFVSA-N
MW349.43 g/mol
LogP3.17
Rot. Bonds6

About N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide

N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 94640588) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID94640588
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
InChIInChI=1S/C18H20FNO3S/c19-16-10-8-15(9-11-16)18(17-7-4-12-23-17)20-24(21,22)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2/t17-,18+/m1/s1
InChIKeyHNISHHVKKFCTFR-MSOLQXFVSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide (CID 94640588) is N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is HNISHHVKKFCTFR-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-16-10-8-15(9-11-16)18(17-7-4-12-23-17)20-24(21,22)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,20H,4,7,12-13H2/t17-,18+/m1/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide?
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 94640588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).