N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide

C11H16F2N2O2S — CID 120664782

IUPACN-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-3-14-8(2)7-15-18(16,17)11-5-4-9(12)6-10(11)13/h4-6,8,14-15H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyRJNQZEPRVNPPCS-MRVPVSSYSA-N
MW278.32 g/mol
LogP1.24
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide

N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide (PubChem CID 120664782) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
PubChem CID120664782
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-3-14-8(2)7-15-18(16,17)11-5-4-9(12)6-10(11)13/h4-6,8,14-15H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyRJNQZEPRVNPPCS-MRVPVSSYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 120664946
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
CID 66091851
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62665959
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
3-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzenesulfonamide
CID 120713919

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide (CID 120664782) is N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide is CCN[C@H](C)CNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is RJNQZEPRVNPPCS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-3-14-8(2)7-15-18(16,17)11-5-4-9(12)6-10(11)13/h4-6,8,14-15H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide?
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 120664782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).