(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide

C12H16ClNO3S — CID 97169032

IUPAC(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c13-11-3-1-9(2-4-11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)/t10-,12-/m1/s1
InChIKeyMFKSCMYDCZUZBO-ZYHUDNBSSA-N
MW289.78 g/mol
LogP1.58
Rot. Bonds3

About (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide

(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide (PubChem CID 97169032) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide
PubChem CID97169032
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide
SMILESNS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c13-11-3-1-9(2-4-11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)/t10-,12-/m1/s1
InChIKeyMFKSCMYDCZUZBO-ZYHUDNBSSA-N
XLogP1.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonyl chloride
CID 98087195
(3R,4S)-3-[(3-chlorophenyl)methyl]oxane-4-sulfonamide
CID 97169042
(3S,4S)-3-[(4-chlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 97166760
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166602
3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide
CID 71649230
(3S,4S)-3-[(2,5-dichlorophenyl)methyl]oxane-4-sulfonamide
CID 97169015
3-[(2-chlorophenyl)methyl]oxane-4-sulfonamide
CID 71649235
3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
CID 118991797
(3R,4S)-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169046
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
(3R,4R)-3-[(2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 97169060

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide (CID 97169032) is (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide is NS(=O)(=O)[C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide?
The InChIKey is MFKSCMYDCZUZBO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c13-11-3-1-9(2-4-11)7-10-8-17-6-5-12(10)18(14,15)16/h1-4,10,12H,5-8H2,(H2,14,15,16)/t10-,12-/m1/s1.
What are the key properties of (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide?
(3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide has a molecular weight of 289.78 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(4-chlorophenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 97169032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).