2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide

C11H16F2N2O2S — CID 113303827

IUPAC2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(F)F
InChIInChI=1S/C11H16F2N2O2S/c1-8(2)15-18(16,17)10-6-4-3-5-9(10)14-7-11(12)13/h3-6,8,11,14-15H,7H2,1-2H3
InChIKeyPHJUQPOMNXJSME-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.05
Rot. Bonds6

About 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide

2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide (PubChem CID 113303827) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
PubChem CID113303827
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1NCC(F)F
InChIInChI=1S/C11H16F2N2O2S/c1-8(2)15-18(16,17)10-6-4-3-5-9(10)14-7-11(12)13/h3-6,8,11,14-15H,7H2,1-2H3
InChIKeyPHJUQPOMNXJSME-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 103354049
2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63838250

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide (CID 113303827) is 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PHJUQPOMNXJSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-8(2)15-18(16,17)10-6-4-3-5-9(10)14-7-11(12)13/h3-6,8,11,14-15H,7H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide?
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113303827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).