4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

C16H16N2O4S2 — CID 26540985

IUPAC4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O4S2/c1-12(14-5-9-15(10-6-14)23(2,19)20)18-24(21,22)16-7-3-13(11-17)4-8-16/h3-10,12,18H,1-2H3/t12-/m1/s1
InChIKeyLFYPBQCWTYVUGH-GFCCVEGCSA-N
MW364.45 g/mol
LogP2.00
Rot. Bonds5

About 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 26540985) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID26540985
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC Name4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16N2O4S2/c1-12(14-5-9-15(10-6-14)23(2,19)20)18-24(21,22)16-7-3-13(11-17)4-8-16/h3-10,12,18H,1-2H3/t12-/m1/s1
InChIKeyLFYPBQCWTYVUGH-GFCCVEGCSA-N
XLogP2.00
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
3-cyano-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 47013218
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
3-bromo-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 55681636
4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356188
4-cyano-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 51200672
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247133
3,5-difluoro-4-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]benzonitrile
CID 94814048
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (CID 26540985) is 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LFYPBQCWTYVUGH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-12(14-5-9-15(10-6-14)23(2,19)20)18-24(21,22)16-7-3-13(11-17)4-8-16/h3-10,12,18H,1-2H3/t12-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 26540985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).