N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide

C14H21FN2O2S — CID 102920451

IUPACN-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(F)ccc1CNC1CC1
InChIInChI=1S/C14H21FN2O2S/c1-14(2,3)17-20(18,19)13-8-11(15)5-4-10(13)9-16-12-6-7-12/h4-5,8,12,16-17H,6-7,9H2,1-3H3
InChIKeyVGVHWWZGOBXPFL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.15
Rot. Bonds5

About N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide

N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide (PubChem CID 102920451) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
PubChem CID102920451
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(F)ccc1CNC1CC1
InChIInChI=1S/C14H21FN2O2S/c1-14(2,3)17-20(18,19)13-8-11(15)5-4-10(13)9-16-12-6-7-12/h4-5,8,12,16-17H,6-7,9H2,1-3H3
InChIKeyVGVHWWZGOBXPFL-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
CID 102920207
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031452
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[(2-bromo-4-fluorophenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 43628921
N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103792535
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
2-[(cyclobutylamino)methyl]-5-fluorophenol
CID 117220815
5-fluoro-2-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071622

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide (CID 102920451) is N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(F)ccc1CNC1CC1.
What is the InChIKey of N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide?
The InChIKey is VGVHWWZGOBXPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-14(2,3)17-20(18,19)13-8-11(15)5-4-10(13)9-16-12-6-7-12/h4-5,8,12,16-17H,6-7,9H2,1-3H3.
What are the key properties of N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide?
N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 102920451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).