N-benzyl-4-cyano-N-propylbenzenesulfonamide

C17H18N2O2S — CID 30328624

IUPACN-benzyl-4-cyano-N-propylbenzenesulfonamide
SMILESCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-12-19(14-16-6-4-3-5-7-16)22(20,21)17-10-8-15(13-18)9-11-17/h3-11H,2,12,14H2,1H3
InChIKeyZRCSQVGNRHHJNV-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.16
Rot. Bonds6

About N-benzyl-4-cyano-N-propylbenzenesulfonamide

N-benzyl-4-cyano-N-propylbenzenesulfonamide (PubChem CID 30328624) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-benzyl-4-cyano-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-cyano-N-propylbenzenesulfonamide
PubChem CID30328624
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-benzyl-4-cyano-N-propylbenzenesulfonamide
SMILESCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2S/c1-2-12-19(14-16-6-4-3-5-7-16)22(20,21)17-10-8-15(13-18)9-11-17/h3-11H,2,12,14H2,1H3
InChIKeyZRCSQVGNRHHJNV-UHFFFAOYSA-N
XLogP3.16
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
N-[(4-cyanophenyl)methyl]-N-propylpropane-1-sulfonamide
CID 64592151
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
1-bromo-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 83084263
1-chloro-N-[(4-cyanophenyl)methyl]-N-propylmethanesulfonamide
CID 63666805
2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61060009
N,N-dipropylbenzenesulfonamide
CID 4053954
N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 135065156
2-[3-[[(4-butylphenyl)methyl-(4-cyanophenyl)sulfonylamino]methyl]phenyl]acetic acid
CID 18376238
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-cyano-N-propylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-cyano-N-propylbenzenesulfonamide (CID 30328624) is N-benzyl-4-cyano-N-propylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-cyano-N-propylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-cyano-N-propylbenzenesulfonamide is CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-benzyl-4-cyano-N-propylbenzenesulfonamide?
The InChIKey is ZRCSQVGNRHHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-12-19(14-16-6-4-3-5-7-16)22(20,21)17-10-8-15(13-18)9-11-17/h3-11H,2,12,14H2,1H3.
What are the key properties of N-benzyl-4-cyano-N-propylbenzenesulfonamide?
N-benzyl-4-cyano-N-propylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-cyano-N-propylbenzenesulfonamide is sourced from PubChem (CID 30328624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).