3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide

C15H14N2O3S — CID 103837026

IUPAC3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C15H14N2O3S/c16-10-12-5-4-8-14(9-12)21(19,20)17-15(11-18)13-6-2-1-3-7-13/h1-9,15,17-18H,11H2/t15-/m0/s1
InChIKeyVTEWROZETBCZEJ-HNNXBMFYSA-N
MW302.36 g/mol
LogP1.57
Rot. Bonds5

About 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide

3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (PubChem CID 103837026) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
PubChem CID103837026
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/C15H14N2O3S/c16-10-12-5-4-8-14(9-12)21(19,20)17-15(11-18)13-6-2-1-3-7-13/h1-9,15,17-18H,11H2/t15-/m0/s1
InChIKeyVTEWROZETBCZEJ-HNNXBMFYSA-N
XLogP1.57
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
3-[(3-cyanophenyl)sulfonylamino]-4-methylpentanoic acid
CID 75496514
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide (CID 103837026) is 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1.
What is the InChIKey of 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The InChIKey is VTEWROZETBCZEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c16-10-12-5-4-8-14(9-12)21(19,20)17-15(11-18)13-6-2-1-3-7-13/h1-9,15,17-18H,11H2/t15-/m0/s1.
What are the key properties of 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 103837026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).