N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide

C27H25NO3S — CID 10765681

IUPACN-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25NO3S/c1-21-17-19-25(20-18-21)32(30,31)28-26(22-11-5-2-6-12-22)27(29,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26,28-29H,1H3/t26-/m0/s1
InChIKeyBUHIDOBFESRZNI-SANMLTNESA-N
MW443.57 g/mol
LogP4.95
Rot. Bonds7

About N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide

N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide (PubChem CID 10765681) has the molecular formula C27H25NO3S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide
PubChem CID10765681
Molecular FormulaC27H25NO3S
Molecular Weight443.57 g/mol
Exact Mass443.16
IUPAC NameN-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25NO3S/c1-21-17-19-25(20-18-21)32(30,31)28-26(22-11-5-2-6-12-22)27(29,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26,28-29H,1H3/t26-/m0/s1
InChIKeyBUHIDOBFESRZNI-SANMLTNESA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
N-(2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 242440
(R)-2-(4-biphenylyl)-1-(m-fluorophenylsulfonylamino)-2-propanol
CID 96351487
{1-[(4-Methylphenyl)sulfonyl]-2-pyrrolidinyl}(diphenyl)methanol
CID 6547133
N-{[3'-(Hydroxymethyl)biphenyl-4-Yl]methyl}benzenesulfonamide
CID 119025594
4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 11100455
N-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) phenyl)-N-(2,2,2-trifluoroethyl) benzenesulfonamide
CID 129852914
(s)-N-(1-hydroxy-3-phenyl-1,1-bis(4-(trifluoromethyl)phenyl)propan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 129884057
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 129884100
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 129884101
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 129884108
(s)-N-(1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl)benzenesulfonamide
CID 129884155

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide (CID 10765681) is N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is BUHIDOBFESRZNI-SANMLTNESA-N. The full InChI is InChI=1S/C27H25NO3S/c1-21-17-19-25(20-18-21)32(30,31)28-26(22-11-5-2-6-12-22)27(29,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26,28-29H,1H3/t26-/m0/s1.
What are the key properties of N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide?
N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10765681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).