N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide

C16H15N3O3S — CID 121238654

IUPACN-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12(20)18-14-5-9-16(10-6-14)23(21,22)19(2)15-7-3-13(11-17)4-8-15/h3-10H,1-2H3,(H,18,20)
InChIKeyFNERCJLHZQEVQE-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.34
Rot. Bonds4

About N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide

N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide (PubChem CID 121238654) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
PubChem CID121238654
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-12(20)18-14-5-9-16(10-6-14)23(21,22)19(2)15-7-3-13(11-17)4-8-15/h3-10H,1-2H3,(H,18,20)
InChIKeyFNERCJLHZQEVQE-UHFFFAOYSA-N
XLogP2.34
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 90342533
1-acetamido-4-[(4-fluorosulfonyloxyphenyl)-methylsulfamoyl]benzene
CID 154880193
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
N-[4-[methyl-(4-prop-2-enoxyphenyl)sulfamoyl]phenyl]acetamide
CID 100501598
(4-cyanophenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 7870968
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfinylphenyl)sulfamoyl]benzamide
CID 90342490
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 4-cyanobenzoate
CID 4813547
3-[[4-[(1S)-1-aminoethyl]phenyl]-methylsulfamoyl]-N-(4-cyanophenyl)benzamide;hydrochloride
CID 90342403
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide (CID 121238654) is N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide?
The InChIKey is FNERCJLHZQEVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-12(20)18-14-5-9-16(10-6-14)23(21,22)19(2)15-7-3-13(11-17)4-8-15/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide?
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 121238654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).