4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide

C18H24N2O3S — CID 70536865

IUPAC4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide
SMILESCC[C@@](C)(NC[C@H](O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-3-18(2,15-9-11-16(12-10-15)24(19,22)23)20-13-17(21)14-7-5-4-6-8-14/h4-12,17,20-21H,3,13H2,1-2H3,(H2,19,22,23)/t17-,18+/m0/s1
InChIKeyBMMWCVKDJKSMOV-ZWKOTPCHSA-N
MW348.47 g/mol
LogP2.28
Rot. Bonds7

About 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide

4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide (PubChem CID 70536865) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide
PubChem CID70536865
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide
SMILESCC[C@@](C)(NC[C@H](O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-3-18(2,15-9-11-16(12-10-15)24(19,22)23)20-13-17(21)14-7-5-4-6-8-14/h4-12,17,20-21H,3,13H2,1-2H3,(H2,19,22,23)/t17-,18+/m0/s1
InChIKeyBMMWCVKDJKSMOV-ZWKOTPCHSA-N
XLogP2.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide
CID 60986703
2-ethyl-2-[(2-hydroxy-2-phenylethyl)amino]propane-1,3-diol
CID 103602722
2-(3-ethylpentan-3-ylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 65039226
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
(1S)-1-phenyl-2-(tritylamino)ethanol
CID 69267924
4-(1-hydroxypentyl)benzenesulfonamide
CID 139816747
4-[(3S)-3-[bis[(2S)-2-hydroxy-2-phenylethyl]amino]butyl]benzenesulfonamide
CID 70451852
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
[4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]phenyl] benzenesulfonate
CID 87367413
4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 68722995

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide (CID 70536865) is 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide is CC[C@@](C)(NC[C@H](O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide?
The InChIKey is BMMWCVKDJKSMOV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-18(2,15-9-11-16(12-10-15)24(19,22)23)20-13-17(21)14-7-5-4-6-8-14/h4-12,17,20-21H,3,13H2,1-2H3,(H2,19,22,23)/t17-,18+/m0/s1.
What are the key properties of 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide?
4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 70536865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).