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

C15H13FN2O2S — CID 103833619

IUPAC2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccccc1
InChIInChI=1S/C15H13FN2O2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)15-9-5-8-14(16)13(15)10-17/h2-9,11,18H,1H3/t11-/m1/s1
InChIKeyNQKLZIKAJUTWKP-LLVKDONJSA-N
MW304.35 g/mol
LogP2.74
Rot. Bonds4

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

2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 103833619) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID103833619
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccccc1
InChIInChI=1S/C15H13FN2O2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)15-9-5-8-14(16)13(15)10-17/h2-9,11,18H,1H3/t11-/m1/s1
InChIKeyNQKLZIKAJUTWKP-LLVKDONJSA-N
XLogP2.74
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
N-(1-Phenylethyl)benzenesulfonamide
CID 99969
4-(1-Aminoethyl)benzene-1-sulfonamide
CID 3689755
2-cyano-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 1251952
N-(4-fluorobenzyl)-4-methylbenzenesulfonamide
CID 2165167
3-(1-Aminoethyl)benzene-1-sulfonamide
CID 4962826
N-[(2S)-2-amino-2-phenylethyl]-3,5-difluorobenzenesulfonamide
CID 171714590
N-[(2S)-2-amino-2-phenylethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 171714592
N-[(2R)-2-amino-2-phenylethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 171714594
2,6-difluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 8405071
N-[(2,4-difluorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 2805794

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 103833619) is 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccccc1.
What is the InChIKey of 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is NQKLZIKAJUTWKP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-11(12-6-3-2-4-7-12)18-21(19,20)15-9-5-8-14(16)13(15)10-17/h2-9,11,18H,1H3/t11-/m1/s1.
What are the key properties of 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide?
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 103833619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).