N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide

C15H21FN2O2S — CID 106024371

IUPACN-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H21FN2O2S/c16-14-8-12(9-17-13-5-6-13)4-7-15(14)21(19,20)18-10-11-2-1-3-11/h4,7-8,11,13,17-18H,1-3,5-6,9-10H2
InChIKeyKZORKUKTOZALKO-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.16
Rot. Bonds7

About N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide

N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide (PubChem CID 106024371) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
PubChem CID106024371
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H21FN2O2S/c16-14-8-12(9-17-13-5-6-13)4-7-15(14)21(19,20)18-10-11-2-1-3-11/h4,7-8,11,13,17-18H,1-3,5-6,9-10H2
InChIKeyKZORKUKTOZALKO-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
4-[(cyclopropylamino)methyl]-2-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 106031989
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
CID 106024971
4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 79189663
2-fluoro-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016517
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 115409035
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
CID 106019464

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide (CID 106024371) is N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide is O=S(=O)(NCC1CCC1)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is KZORKUKTOZALKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-14-8-12(9-17-13-5-6-13)4-7-15(14)21(19,20)18-10-11-2-1-3-11/h4,7-8,11,13,17-18H,1-3,5-6,9-10H2.
What are the key properties of N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide?
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106024371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).