N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide

C22H30N2O3S — CID 10222783

IUPACN-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H30N2O3S/c23-21(16-18-10-4-1-5-11-18)22(25)17-24(19-12-6-2-7-13-19)28(26,27)20-14-8-3-9-15-20/h1,3-5,8-11,14-15,19,21-22,25H,2,6-7,12-13,16-17,23H2/t21-,22+/m0/s1
InChIKeyKLFLAWJJOAKACH-FCHUYYIVSA-N
MW402.56 g/mol
LogP2.94
Rot. Bonds8

About N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide

N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide (PubChem CID 10222783) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide
PubChem CID10222783
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H30N2O3S/c23-21(16-18-10-4-1-5-11-18)22(25)17-24(19-12-6-2-7-13-19)28(26,27)20-14-8-3-9-15-20/h1,3-5,8-11,14-15,19,21-22,25H,2,6-7,12-13,16-17,23H2/t21-,22+/m0/s1
InChIKeyKLFLAWJJOAKACH-FCHUYYIVSA-N
XLogP2.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-4-phenylbutyl)-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 175231730
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclopropyl-4-nitrobenzenesulfonamide
CID 163213927
benzyl N-[(2S,3R)-4-[benzenesulfonyl(cyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 508285
(2R,3S)-3-amino-1-[amino(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
CID 10756020
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide;hydrochloride
CID 87740079
N-[(2S,3S)-3-amino-2-hydroxy-3-phenylpropyl]-3,4-dichloro-N-cyclobutylbenzenesulfonamide
CID 162644714
4-amino-N-[(3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
CID 46780138
4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
CID 154782398
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclopentyloxy-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 58683447
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
3-amino-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)benzenesulfonamide
CID 18731934

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide?
The IUPAC name of N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide (CID 10222783) is N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide is N[C@@H](Cc1ccccc1)[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide?
The InChIKey is KLFLAWJJOAKACH-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H30N2O3S/c23-21(16-18-10-4-1-5-11-18)22(25)17-24(19-12-6-2-7-13-19)28(26,27)20-14-8-3-9-15-20/h1,3-5,8-11,14-15,19,21-22,25H,2,6-7,12-13,16-17,23H2/t21-,22+/m0/s1.
What are the key properties of N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide?
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide has a molecular weight of 402.56 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 10222783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).