5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide

C13H18F2N2O3S — CID 105120761

IUPAC5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-20-5-4-17(10-2-3-10)21(18,19)12-7-9(8-16)6-11(14)13(12)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeySAFMFMHVRFVULX-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.22
Rot. Bonds7

About 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide

5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 105120761) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID105120761
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C13H18F2N2O3S/c1-20-5-4-17(10-2-3-10)21(18,19)12-7-9(8-16)6-11(14)13(12)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeySAFMFMHVRFVULX-UHFFFAOYSA-N
XLogP1.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-bromo-N-cyclopropyl-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 81481397
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
3-[cyclopropyl(2-methoxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 60951447
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 102920088
1-[4-(aminomethyl)phenyl]-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61451821
3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 63322186
3-bromo-N-cyclopropyl-5-(hydroxymethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 81480450
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 79186964
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
2,5-dibromo-N-cyclopropyl-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 80708665

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 105120761) is 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C1CC1)S(=O)(=O)c1cc(CN)cc(F)c1F.
What is the InChIKey of 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is SAFMFMHVRFVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-20-5-4-17(10-2-3-10)21(18,19)12-7-9(8-16)6-11(14)13(12)15/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide?
5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 320.36 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 105120761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).