N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide

C18H23NO3S — CID 154713151

IUPACN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-18(2,3)23(21,22)19-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17,19-20H,1-3H3/t16-,17-/m1/s1
InChIKeyLAVWGJTUIMRVKG-IAGOWNOFSA-N
MW333.45 g/mol
LogP3.18
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide

N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide (PubChem CID 154713151) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide
PubChem CID154713151
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-18(2,3)23(21,22)19-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17,19-20H,1-3H3/t16-,17-/m1/s1
InChIKeyLAVWGJTUIMRVKG-IAGOWNOFSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-(+)-2-Amino-1,2-diphenylethanol
CID 719822
2-Amino-1,2-diphenylethanol
CID 22243
(1R,2S)-(-)-2-Amino-1,2-diphenylethanol
CID 719819
N-methyl-1,2-diphenylethanolamine
CID 99708
Norephedrine, sulfate
CID 76966052
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
BENZYL ALCOHOL, alpha-(alpha-AMINOBENZYL)-, HYDROCHLORIDE
CID 22242
(alphaR,betaR)-beta-Amino-alpha-phenylbenzeneethanol
CID 719820
(S,S)-(-)-2-Amino-1,2-diphenylethanol
CID 719821
(1S,2R)-2-(Isopropylamino)-1,2-diphenylethanol
CID 688271
1-(3-fluorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}methanesulfonamide
CID 56765478
N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide (CID 154713151) is N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide?
The InChIKey is LAVWGJTUIMRVKG-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-18(2,3)23(21,22)19-16(14-10-6-4-7-11-14)17(20)15-12-8-5-9-13-15/h4-13,16-17,19-20H,1-3H3/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide?
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 154713151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).