N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide

C19H23FN2O4S — CID 75536708

IUPACN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccc(F)cc3)[C@@H]2O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-13-2-8-16(9-3-13)27(24,25)22-11-18-19(23)17(12-26-18)21-10-14-4-6-15(20)7-5-14/h2-9,17-19,21-23H,10-12H2,1H3/t17-,18-,19+/m1/s1
InChIKeyNXYYRSWIQWQCRS-QRVBRYPASA-N
MW394.47 g/mol
LogP1.33
Rot. Bonds7

About N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide

N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 75536708) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID75536708
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccc(F)cc3)[C@@H]2O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-13-2-8-16(9-3-13)27(24,25)22-11-18-19(23)17(12-26-18)21-10-14-4-6-15(20)7-5-14/h2-9,17-19,21-23H,10-12H2,1H3/t17-,18-,19+/m1/s1
InChIKeyNXYYRSWIQWQCRS-QRVBRYPASA-N
XLogP1.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide (CID 75536708) is N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3ccc(F)cc3)[C@@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is NXYYRSWIQWQCRS-QRVBRYPASA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-13-2-8-16(9-3-13)27(24,25)22-11-18-19(23)17(12-26-18)21-10-14-4-6-15(20)7-5-14/h2-9,17-19,21-23H,10-12H2,1H3/t17-,18-,19+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide?
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 75536708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).