5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide

C13H20F2N2O3S — CID 102701500

IUPAC5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCCNCc1cc(F)c(F)c(S(=O)(=O)NCC(C)OC)c1
InChIInChI=1S/C13H20F2N2O3S/c1-4-16-8-10-5-11(14)13(15)12(6-10)21(18,19)17-7-9(2)20-3/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyROMSGDROVARGNT-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.39
Rot. Bonds8

About 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide

5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102701500) has the molecular formula C13H20F2N2O3S and a molecular weight of 322.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102701500
Molecular FormulaC13H20F2N2O3S
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCCNCc1cc(F)c(F)c(S(=O)(=O)NCC(C)OC)c1
InChIInChI=1S/C13H20F2N2O3S/c1-4-16-8-10-5-11(14)13(15)12(6-10)21(18,19)17-7-9(2)20-3/h5-6,9,16-17H,4,7-8H2,1-3H3
InChIKeyROMSGDROVARGNT-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-2,3-difluoro-N-propylbenzenesulfonamide
CID 105120027
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408
5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105120231
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
N-butyl-2,3-difluoro-5-(propylaminomethyl)benzenesulfonamide
CID 105120214
N-(2-ethoxypropyl)-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 106078669
5-(aminomethyl)-N-(2,3-dimethylbutyl)-2,3-difluorobenzenesulfonamide
CID 105122469
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701391

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide (CID 102701500) is 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide is CCNCc1cc(F)c(F)c(S(=O)(=O)NCC(C)OC)c1.
What is the InChIKey of 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is ROMSGDROVARGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3S/c1-4-16-8-10-5-11(14)13(15)12(6-10)21(18,19)17-7-9(2)20-3/h5-6,9,16-17H,4,7-8H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide?
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 322.38 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102701500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).