N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide

C17H22N2O4S — CID 14739890

IUPACN-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S/c1-24(21,22)19-15-9-7-14(8-10-15)11-18-12-16(20)13-23-17-5-3-2-4-6-17/h2-10,16,18-20H,11-13H2,1H3
InChIKeyWFCXENJCPDJVBY-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.59
Rot. Bonds9

About N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide

N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide (PubChem CID 14739890) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide
PubChem CID14739890
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C17H22N2O4S/c1-24(21,22)19-15-9-7-14(8-10-15)11-18-12-16(20)13-23-17-5-3-2-4-6-17/h2-10,16,18-20H,11-13H2,1H3
InChIKeyWFCXENJCPDJVBY-UHFFFAOYSA-N
XLogP1.59
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide (CID 14739890) is N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CNCC(O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide?
The InChIKey is WFCXENJCPDJVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-24(21,22)19-15-9-7-14(8-10-15)11-18-12-16(20)13-23-17-5-3-2-4-6-17/h2-10,16,18-20H,11-13H2,1H3.
What are the key properties of N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide?
N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14739890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).