(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

C15H22FNO3S — CID 97175198

IUPAC(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-11(2)17-21(18,19)15-7-8-20-10-13(15)9-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWCXUAXTOPEWLQ-DZGCQCFKSA-N
MW315.41 g/mol
LogP2.10
Rot. Bonds5

About (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide

(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (PubChem CID 97175198) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
PubChem CID97175198
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide
SMILESCC(C)NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F
InChIInChI=1S/C15H22FNO3S/c1-11(2)17-21(18,19)15-7-8-20-10-13(15)9-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWCXUAXTOPEWLQ-DZGCQCFKSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The IUPAC name of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide (CID 97175198) is (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide.
What is the SMILES notation for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The canonical SMILES for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is CC(C)NS(=O)(=O)[C@@H]1CCOC[C@@H]1Cc1ccccc1F.
What is the InChIKey of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
The InChIKey is MWCXUAXTOPEWLQ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-11(2)17-21(18,19)15-7-8-20-10-13(15)9-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide?
(3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2-fluorophenyl)methyl]-N-propan-2-yloxane-4-sulfonamide is sourced from PubChem (CID 97175198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).