N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide

C13H19FN2O2S — CID 79187108

IUPACN-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)C2CC2)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-3-15-9-10-4-7-13(12(14)8-10)19(17,18)16(2)11-5-6-11/h4,7-8,11,15H,3,5-6,9H2,1-2H3
InChIKeyFZDFPRROGRXQRP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.72
Rot. Bonds6

About N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide

N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 79187108) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID79187108
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)C2CC2)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-3-15-9-10-4-7-13(12(14)8-10)19(17,18)16(2)11-5-6-11/h4,7-8,11,15H,3,5-6,9H2,1-2H3
InChIKeyFZDFPRROGRXQRP-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
4-(chloromethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79177446
4-(aminomethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79179448
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
1-N-cyclopropyl-2-fluoro-1-N-methylbenzene-1,4-disulfonamide
CID 47358758
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 79186964
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 107453578
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748477
4-(aminomethyl)-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 79187466

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide (CID 79187108) is N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide is CCNCc1ccc(S(=O)(=O)N(C)C2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is FZDFPRROGRXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-3-15-9-10-4-7-13(12(14)8-10)19(17,18)16(2)11-5-6-11/h4,7-8,11,15H,3,5-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide?
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 79187108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).