3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide

C12H16F2N2O2S — CID 107343147

IUPAC3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C12H16F2N2O2S/c1-2-7-16(8-3-4-8)19(17,18)10-6-5-9(13)12(15)11(10)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyXOPORSDHIQMVOC-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.11
Rot. Bonds5

About 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide

3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide (PubChem CID 107343147) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
PubChem CID107343147
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C12H16F2N2O2S/c1-2-7-16(8-3-4-8)19(17,18)10-6-5-9(13)12(15)11(10)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyXOPORSDHIQMVOC-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 80645694
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343235
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-propylbenzenesulfonamide
CID 102920018
3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
3-amino-5-chloro-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 103050502
N-cyclopropyl-3-fluoro-N-propylpyridine-2-sulfonamide
CID 103299212
2-[(3-amino-2,4-difluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 107343346
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918
N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 79186883
4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512
N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
CID 79117102

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide (CID 107343147) is 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide is CCCN(C1CC1)S(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide?
The InChIKey is XOPORSDHIQMVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-2-7-16(8-3-4-8)19(17,18)10-6-5-9(13)12(15)11(10)14/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide?
3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 107343147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).