N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide

C14H17FN2O2S — CID 63239480

IUPACN-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C14H17FN2O2S/c1-2-3-8-17(12-4-5-12)20(18,19)13-6-7-14(15)11(9-13)10-16/h6-7,9,12H,2-5,8H2,1H3
InChIKeyCHPRTIKLWOUPBA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.65
Rot. Bonds6

About N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide

N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide (PubChem CID 63239480) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
PubChem CID63239480
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C14H17FN2O2S/c1-2-3-8-17(12-4-5-12)20(18,19)13-6-7-14(15)11(9-13)10-16/h6-7,9,12H,2-5,8H2,1H3
InChIKeyCHPRTIKLWOUPBA-UHFFFAOYSA-N
XLogP2.65
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
CID 106833026
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 82843646
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
3-cyano-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 63239745

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide (CID 63239480) is N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(C#N)c1.
What is the InChIKey of N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide?
The InChIKey is CHPRTIKLWOUPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-2-3-8-17(12-4-5-12)20(18,19)13-6-7-14(15)11(9-13)10-16/h6-7,9,12H,2-5,8H2,1H3.
What are the key properties of N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide?
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide has a molecular weight of 296.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63239480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).