3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C12H17FN2O3S — CID 61109405

IUPAC3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O3S/c1-18-7-6-15(9-2-3-9)19(16,17)10-4-5-11(13)12(14)8-10/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeyBRWYKFZYYOXCRL-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.21
Rot. Bonds6

About 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61109405) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61109405
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O3S/c1-18-7-6-15(9-2-3-9)19(16,17)10-4-5-11(13)12(14)8-10/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeyBRWYKFZYYOXCRL-UHFFFAOYSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[cyclopropyl(2-methoxyethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 63288473
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 63322186
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61451779
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
CID 61350715
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
3-[cyclopropyl(2-methoxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 60951447
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
N-cyclopropyl-3-(1-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 61455432
5-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-nitrobenzenesulfonamide
CID 62156814
5-(aminomethyl)-N-cyclopropyl-2,3-difluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 105120761
3-amino-N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 114625181

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 61109405) is 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is BRWYKFZYYOXCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-7-6-15(9-2-3-9)19(16,17)10-4-5-11(13)12(14)8-10/h4-5,8-9H,2-3,6-7,14H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61109405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).