3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide

C15H23FN2O2S — CID 81427917

IUPAC3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)cc(CNC2CC2)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10(2)8-18-21(19,20)14-6-11(3)15(16)12(7-14)9-17-13-4-5-13/h6-7,10,13,17-18H,4-5,8-9H2,1-3H3
InChIKeyVZCUGLDUYPDMPV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.32
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide

3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 81427917) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID81427917
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)cc(CNC2CC2)c1F
InChIInChI=1S/C15H23FN2O2S/c1-10(2)8-18-21(19,20)14-6-11(3)15(16)12(7-14)9-17-13-4-5-13/h6-7,10,13,17-18H,4-5,8-9H2,1-3H3
InChIKeyVZCUGLDUYPDMPV-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(cyclopropylamino)methyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 81451983
3-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 115409081
N-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
3-[(cyclopropylamino)methyl]-4-fluoro-5-methylphenol
CID 58005743
N-cyclopentyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81435941
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071747
4-fluoro-3-methyl-N-propyl-5-(propylaminomethyl)benzenesulfonamide
CID 81435327
4-chloro-N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 81457354
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077620
3-(ethylaminomethyl)-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 81435112
3-amino-4-fluoro-5-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 115421550
3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030111

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 81427917) is 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)C)cc(CNC2CC2)c1F.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is VZCUGLDUYPDMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10(2)8-18-21(19,20)14-6-11(3)15(16)12(7-14)9-17-13-4-5-13/h6-7,10,13,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide?
3-[(cyclopropylamino)methyl]-4-fluoro-5-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.32, 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-5-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 81427917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).