N-butyl-4-cyanobenzenesulfonamide

C11H14N2O2S — CID 3555489

IUPACN-butyl-4-cyanobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O2S/c1-2-3-8-13-16(14,15)11-6-4-10(9-12)5-7-11/h4-7,13H,2-3,8H2,1H3
InChIKeyBGTPDZOISVJSGO-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.64
Rot. Bonds5

About N-butyl-4-cyanobenzenesulfonamide

N-butyl-4-cyanobenzenesulfonamide (PubChem CID 3555489) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-butyl-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-cyanobenzenesulfonamide
PubChem CID3555489
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-butyl-4-cyanobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O2S/c1-2-3-8-13-16(14,15)11-6-4-10(9-12)5-7-11/h4-7,13H,2-3,8H2,1H3
InChIKeyBGTPDZOISVJSGO-UHFFFAOYSA-N
XLogP1.64
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045
N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
CID 177415345
6-[(4-cyanophenyl)sulfonylamino]hexanoic acid
CID 28530885
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
N-(2-tert-butylsulfanylethyl)-4-cyanobenzenesulfonamide
CID 2805758
4-cyano-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844122
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
N-butyl-4-ethenylbenzenesulfonamide
CID 20722248

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-cyanobenzenesulfonamide?
The IUPAC name of N-butyl-4-cyanobenzenesulfonamide (CID 3555489) is N-butyl-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-butyl-4-cyanobenzenesulfonamide?
The canonical SMILES for N-butyl-4-cyanobenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-butyl-4-cyanobenzenesulfonamide?
The InChIKey is BGTPDZOISVJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-3-8-13-16(14,15)11-6-4-10(9-12)5-7-11/h4-7,13H,2-3,8H2,1H3.
What are the key properties of N-butyl-4-cyanobenzenesulfonamide?
N-butyl-4-cyanobenzenesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-cyanobenzenesulfonamide is sourced from PubChem (CID 3555489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).