4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide

C14H19FN2O2S — CID 79189663

IUPAC4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC1CC1NS(=O)(=O)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C14H19FN2O2S/c1-9-6-13(9)17-20(18,19)14-5-2-10(7-12(14)15)8-16-11-3-4-11/h2,5,7,9,11,13,16-17H,3-4,6,8H2,1H3
InChIKeyPOBVAHQPIQQYAQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.76
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide

4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 79189663) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID79189663
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCC1CC1NS(=O)(=O)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C14H19FN2O2S/c1-9-6-13(9)17-20(18,19)14-5-2-10(7-12(14)15)8-16-11-3-4-11/h2,5,7,9,11,13,16-17H,3-4,6,8H2,1H3
InChIKeyPOBVAHQPIQQYAQ-UHFFFAOYSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106031989
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
CID 106024371
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
3-fluoro-4-[(2-methylcyclopropyl)sulfamoyl]benzenesulfonyl chloride
CID 62397353
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
2-fluoro-N-(oxolan-3-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 106072319

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide (CID 79189663) is 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide is CC1CC1NS(=O)(=O)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is POBVAHQPIQQYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-9-6-13(9)17-20(18,19)14-5-2-10(7-12(14)15)8-16-11-3-4-11/h2,5,7,9,11,13,16-17H,3-4,6,8H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide?
4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 298.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79189663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).