3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide

C12H16ClF3N2O2S — CID 120713889

IUPAC3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16ClF3N2O2S/c1-3-17-8(2)7-18-21(19,20)11-5-9(12(14,15)16)4-10(13)6-11/h4-6,8,17-18H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyFGXGHLLRQQGRDF-MRVPVSSYSA-N
MW344.79 g/mol
LogP2.64
Rot. Bonds6

About 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide

3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 120713889) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID120713889
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC Name3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C12H16ClF3N2O2S/c1-3-17-8(2)7-18-21(19,20)11-5-9(12(14,15)16)4-10(13)6-11/h4-6,8,17-18H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyFGXGHLLRQQGRDF-MRVPVSSYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120708785
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
3-chloro-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120707228
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
N-[(2R)-2-(ethylamino)propyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 120664946
N-(2,2-dimethoxyethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3436267
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
N-[(2R)-2-(ethylamino)propyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120665053
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide (CID 120713889) is 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide is CCN[C@H](C)CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FGXGHLLRQQGRDF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O2S/c1-3-17-8(2)7-18-21(19,20)11-5-9(12(14,15)16)4-10(13)6-11/h4-6,8,17-18H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide?
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 344.79 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120713889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).