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

C16H19NO3S — CID 155937083

IUPACN-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-8-10-15(11-9-13)21(19,20)17-12-16(2,18)14-6-4-3-5-7-14/h3-11,17-18H,12H2,1-2H3/t16-/m0/s1
InChIKeyBTEDNRKQZLYEOU-INIZCTEOSA-N
MW305.40 g/mol
LogP2.18
Rot. Bonds5

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

N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 155937083) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide
PubChem CID155937083
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13-8-10-15(11-9-13)21(19,20)17-12-16(2,18)14-6-4-3-5-7-14/h3-11,17-18H,12H2,1-2H3/t16-/m0/s1
InChIKeyBTEDNRKQZLYEOU-INIZCTEOSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Ethylphenylsulfonyl)-4-phenylazepan-4-ol
CID 25192457
1-(4-Tert-butylphenylsulfonyl)-4-phenylazepan-4-ol
CID 25192456
(S)-(-)-N-(1-(Hydroxymethyl)-2-phenylethyl)-4-methylbenzenesulfonamide
CID 688331
N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
[1-(4-Methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
CID 71781996
2-Methyl-3-phenyl-1-(p-tolylsulfonyl)azetidin-3-ol
CID 496737
{1-[(4-Methylphenyl)sulfonyl]-2-pyrrolidinyl}(diphenyl)methanol
CID 6547133
N-[1-(Hydroxymethyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 5155581
1-(4-Methylphenyl)sulfonyl-3-phenylazetidin-3-ol
CID 15362295

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide (CID 155937083) is N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is BTEDNRKQZLYEOU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-8-10-15(11-9-13)21(19,20)17-12-16(2,18)14-6-4-3-5-7-14/h3-11,17-18H,12H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 155937083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).