N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide

C14H17F2NO2S — CID 42892332

IUPACN-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide
SMILESCC(C1CC1)N(C1CC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2S/c1-9(10-2-3-10)17(12-5-6-12)20(18,19)14-7-4-11(15)8-13(14)16/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyDAGTZUDVVLBAGM-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.92
Rot. Bonds5

About N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide

N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide (PubChem CID 42892332) has the molecular formula C14H17F2NO2S and a molecular weight of 301.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide
PubChem CID42892332
Molecular FormulaC14H17F2NO2S
Molecular Weight301.36 g/mol
Exact Mass301.09
IUPAC NameN-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide
SMILESCC(C1CC1)N(C1CC1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H17F2NO2S/c1-9(10-2-3-10)17(12-5-6-12)20(18,19)14-7-4-11(15)8-13(14)16/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyDAGTZUDVVLBAGM-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide (CID 42892332) is N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide is CC(C1CC1)N(C1CC1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is DAGTZUDVVLBAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2S/c1-9(10-2-3-10)17(12-5-6-12)20(18,19)14-7-4-11(15)8-13(14)16/h4,7-10,12H,2-3,5-6H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide?
N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 301.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-cyclopropylethyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 42892332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).