4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide

C15H25FN2O2S — CID 106046579

IUPAC4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(F)c(CNC(C)C)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-6-12(4)18-21(19,20)14-7-8-15(16)13(9-14)10-17-11(2)3/h7-9,11-12,17-18H,5-6,10H2,1-4H3
InChIKeyNVAGUIHQMZFOQR-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.79
Rot. Bonds8

About 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide

4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 106046579) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID106046579
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(F)c(CNC(C)C)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-6-12(4)18-21(19,20)14-7-8-15(16)13(9-14)10-17-11(2)3/h7-9,11-12,17-18H,5-6,10H2,1-4H3
InChIKeyNVAGUIHQMZFOQR-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106084648
4-fluoro-N-(1-methylsulfanylpropan-2-yl)-3-(propylaminomethyl)benzenesulfonamide
CID 106079623
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
3-(ethylaminomethyl)-4-fluoro-N-hexan-3-ylbenzenesulfonamide
CID 106055487
3-(hydroxymethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 114132275
2-fluoro-5-methylsulfonyl-N-pentan-2-ylbenzenesulfonamide
CID 43454734
3-(aminomethyl)-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 106046576
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-4-fluorobenzenesulfonamide
CID 63289077
4-chloro-N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046336
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
3-(aminomethyl)-4-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 55172499

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 106046579) is 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(F)c(CNC(C)C)c1.
What is the InChIKey of 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is NVAGUIHQMZFOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-5-6-12(4)18-21(19,20)14-7-8-15(16)13(9-14)10-17-11(2)3/h7-9,11-12,17-18H,5-6,10H2,1-4H3.
What are the key properties of 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide?
4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106046579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).