N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide

C13H18FNO2S — CID 60751133

IUPACN-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-2-3-10-15(12-6-7-12)18(16,17)13-8-4-11(14)5-9-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyZNABKAOQPVTOLP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds6

About N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide

N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide (PubChem CID 60751133) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
PubChem CID60751133
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-2-3-10-15(12-6-7-12)18(16,17)13-8-4-11(14)5-9-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyZNABKAOQPVTOLP-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
6-amino-N-butyl-N-cyclopropylpyridine-3-sulfonamide
CID 62157833
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
CID 106833026
N-butyl-N-cyclopropyl-6-(propylamino)pyridine-3-sulfonamide
CID 62156743

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide (CID 60751133) is N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
The InChIKey is ZNABKAOQPVTOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-3-10-15(12-6-7-12)18(16,17)13-8-4-11(14)5-9-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide has a molecular weight of 271.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60751133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).