3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide

C14H21FN2O2S — CID 63288985

IUPAC3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H21FN2O2S/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,2-5,8,10,16H2,1H3
InChIKeyOYBVSKUKVXXTSU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.24
Rot. Bonds7

About 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide (PubChem CID 63288985) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
PubChem CID63288985
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H21FN2O2S/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,2-5,8,10,16H2,1H3
InChIKeyOYBVSKUKVXXTSU-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluoro-5-methylbenzenesulfonamide
CID 81427943
3-(aminomethyl)-N-butyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63288066
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
3-(aminomethyl)-4-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 63287989
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide (CID 63288985) is 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
The InChIKey is OYBVSKUKVXXTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/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,2-5,8,10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63288985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).