N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide

C14H22FNO2S — CID 113220115

IUPACN-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-4-6-10-16(12(3)5-2)19(17,18)14-9-7-8-13(15)11-14/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyRWUMBLSFHLAXQG-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.41
Rot. Bonds7

About N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide

N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide (PubChem CID 113220115) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide
PubChem CID113220115
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC NameN-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-4-6-10-16(12(3)5-2)19(17,18)14-9-7-8-13(15)11-14/h7-9,11-12H,4-6,10H2,1-3H3
InChIKeyRWUMBLSFHLAXQG-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
N-butyl-N-(2-chloroethyl)-3-fluorobenzenesulfonamide
CID 63396722
N-(2-aminoethyl)-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 55243728
N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326899
4-(bromomethyl)-N-butan-2-yl-N-butylbenzenesulfonamide
CID 65480214
2-[(3-fluorophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 18170875
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
1-fluoro-3-pentan-2-ylsulfonylbenzene
CID 107888330
N-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 112516561
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103924550

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide?
The IUPAC name of N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide (CID 113220115) is N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide is CCCCN(C(C)CC)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide?
The InChIKey is RWUMBLSFHLAXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-4-6-10-16(12(3)5-2)19(17,18)14-9-7-8-13(15)11-14/h7-9,11-12H,4-6,10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide?
N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide has a molecular weight of 287.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 113220115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).