N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 120664627

IUPACN-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(C(C)C)c1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-5-15-12(4)10-16-19(17,18)14-8-6-7-13(9-14)11(2)3;/h6-9,11-12,15-16H,5,10H2,1-4H3;1H/t12-;/m1./s1
InChIKeyRNLDFDQHFRUMPH-UTONKHPSSA-N
MW320.89 g/mol
LogP2.51
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 120664627) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID120664627
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cccc(C(C)C)c1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-5-15-12(4)10-16-19(17,18)14-8-6-7-13(9-14)11(2)3;/h6-9,11-12,15-16H,5,10H2,1-4H3;1H/t12-;/m1./s1
InChIKeyRNLDFDQHFRUMPH-UTONKHPSSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
CID 120824992
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
3-N-cyclopropyl-1-N-[(2R)-2-(ethylamino)propyl]benzene-1,3-disulfonamide;hydrochloride
CID 120664523
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664547
N-[(2R)-2-(ethylamino)propyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120664735
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
3-bromo-4-ethoxy-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664517
3-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 120664929
N-[2-(4-aminophenyl)ethyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120715784

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride (CID 120664627) is N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cccc(C(C)C)c1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is RNLDFDQHFRUMPH-UTONKHPSSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-5-15-12(4)10-16-19(17,18)14-8-6-7-13(9-14)11(2)3;/h6-9,11-12,15-16H,5,10H2,1-4H3;1H/t12-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.51, 7 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]-3-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).