4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride

C12H17Cl2F3N2O2S — CID 120664685

IUPAC4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.Cl
InChIInChI=1S/C12H16ClF3N2O2S.ClH/c1-3-17-8(2)7-18-21(19,20)11-5-4-9(13)6-10(11)12(14,15)16;/h4-6,8,17-18H,3,7H2,1-2H3;1H/t8-;/m1./s1
InChIKeyDMADYXZYIXKTKS-DDWIOCJRSA-N
MW381.25 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride

4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120664685) has the molecular formula C12H17Cl2F3N2O2S and a molecular weight of 381.25 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120664685
Molecular FormulaC12H17Cl2F3N2O2S
Molecular Weight381.25 g/mol
Exact Mass380.03
IUPAC Name4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.Cl
InChIInChI=1S/C12H16ClF3N2O2S.ClH/c1-3-17-8(2)7-18-21(19,20)11-5-4-9(13)6-10(11)12(14,15)16;/h4-6,8,17-18H,3,7H2,1-2H3;1H/t8-;/m1./s1
InChIKeyDMADYXZYIXKTKS-DDWIOCJRSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.06
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
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935898
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120713889
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride
CID 120713968
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120664685) is 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.Cl.
What is the InChIKey of 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is DMADYXZYIXKTKS-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H16ClF3N2O2S.ClH/c1-3-17-8(2)7-18-21(19,20)11-5-4-9(13)6-10(11)12(14,15)16;/h4-6,8,17-18H,3,7H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride?
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 381.25 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).