N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide

C13H19FN2O2S — CID 79190650

IUPACN-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC2CC2)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-15-8-11-5-6-13(12(14)7-11)19(17,18)16-9-10-3-4-10/h5-7,10,15-16H,2-4,8-9H2,1H3
InChIKeyPRAKQUBAINEPHR-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.62
Rot. Bonds7

About N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide

N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide (PubChem CID 79190650) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
PubChem CID79190650
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC2CC2)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-2-15-8-11-5-6-13(12(14)7-11)19(17,18)16-9-10-3-4-10/h5-7,10,15-16H,2-4,8-9H2,1H3
InChIKeyPRAKQUBAINEPHR-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
CID 106024371
4-(ethylaminomethyl)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016137
2-fluoro-4-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000293
4-(ethylaminomethyl)-2-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077617
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79187108
N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide
CID 106024720
4-(ethylaminomethyl)-2-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 106028813
4-(ethylaminomethyl)-2-fluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106080734
4-(aminomethyl)-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 106052902
3-bromo-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 81488658
4-(ethylaminomethyl)-2-fluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082337
2-fluoro-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016517

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide (CID 79190650) is N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCC2CC2)c(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide?
The InChIKey is PRAKQUBAINEPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-2-15-8-11-5-6-13(12(14)7-11)19(17,18)16-9-10-3-4-10/h5-7,10,15-16H,2-4,8-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide?
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79190650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).