3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide

C15H23FN2O2S — CID 106030111

IUPAC3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C15H23FN2O2S/c1-10(2)11(3)18-21(19,20)14-6-7-15(16)12(8-14)9-17-13-4-5-13/h6-8,10-11,13,17-18H,4-5,9H2,1-3H3
InChIKeyFGFUNMLLKHXXLK-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide

3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106030111) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106030111
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(F)c(CNC2CC2)c1
InChIInChI=1S/C15H23FN2O2S/c1-10(2)11(3)18-21(19,20)14-6-7-15(16)12(8-14)9-17-13-4-5-13/h6-8,10-11,13,17-18H,4-5,9H2,1-3H3
InChIKeyFGFUNMLLKHXXLK-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030109
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
CID 106024971
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
4-chloro-3-[(cyclopropylamino)methyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 81451983
3-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 115409081
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
4-fluoro-N-pentan-2-yl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106046579
3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 81427917
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
4-chloro-N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 81457354

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 106030111) is 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1ccc(F)c(CNC2CC2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is FGFUNMLLKHXXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10(2)11(3)18-21(19,20)14-6-7-15(16)12(8-14)9-17-13-4-5-13/h6-8,10-11,13,17-18H,4-5,9H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106030111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).