N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide

C17H21NO3S — CID 124638191

IUPACN-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
SMILESCN(C[C@H](CCO)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-18(22(20,21)17-10-6-3-7-11-17)14-16(12-13-19)15-8-4-2-5-9-15/h2-11,16,19H,12-14H2,1H3/t16-/m0/s1
InChIKeyLTBMRIYXWXGNOU-INIZCTEOSA-N
MW319.43 g/mol
LogP2.47
Rot. Bonds7

About N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide

N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide (PubChem CID 124638191) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
PubChem CID124638191
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
SMILESCN(C[C@H](CCO)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S/c1-18(22(20,21)17-10-6-3-7-11-17)14-16(12-13-19)15-8-4-2-5-9-15/h2-11,16,19H,12-14H2,1H3/t16-/m0/s1
InChIKeyLTBMRIYXWXGNOU-INIZCTEOSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-phenyl-4-piperidin-1-ylbutyl)benzenesulfonamide
CID 23285239
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
(3S)-4-[(4-bromophenyl)sulfonyl-methylamino]-3-phenylbutanoate
CID 7045231
4-[(4-bromophenyl)sulfonyl-methylamino]-3-phenylbutanoate
CID 3463211
N-[4-[4-(ethylamino)piperidin-1-yl]-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 23285271
benzyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate
CID 18407142
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperazin-1-yl)butyl]-N-methylbenzenesulfonamide
CID 5481727
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 3437911
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 70263958

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide (CID 124638191) is N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide is CN(C[C@H](CCO)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide?
The InChIKey is LTBMRIYXWXGNOU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-18(22(20,21)17-10-6-3-7-11-17)14-16(12-13-19)15-8-4-2-5-9-15/h2-11,16,19H,12-14H2,1H3/t16-/m0/s1.
What are the key properties of N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide?
N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 124638191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).