5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride

C15H26Cl2N2O4S — CID 120713968

IUPAC5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC(C)COC.Cl
InChIInChI=1S/C15H25ClN2O4S.ClH/c1-5-17-11(2)9-18-23(19,20)15-8-13(16)6-7-14(15)22-12(3)10-21-4;/h6-8,11-12,17-18H,5,9-10H2,1-4H3;1H/t11-,12?;/m1./s1
InChIKeyWGDAANVBAPGECY-BAVFUAOSSA-N
MW401.36 g/mol
LogP2.45
Rot. Bonds10

About 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride

5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride (PubChem CID 120713968) has the molecular formula C15H26Cl2N2O4S and a molecular weight of 401.36 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride
PubChem CID120713968
Molecular FormulaC15H26Cl2N2O4S
Molecular Weight401.36 g/mol
Exact Mass400.10
IUPAC Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC(C)COC.Cl
InChIInChI=1S/C15H25ClN2O4S.ClH/c1-5-17-11(2)9-18-23(19,20)15-8-13(16)6-7-14(15)22-12(3)10-21-4;/h6-8,11-12,17-18H,5,9-10H2,1-4H3;1H/t11-,12?;/m1./s1
InChIKeyWGDAANVBAPGECY-BAVFUAOSSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120708878
N-(4-aminobutyl)-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120713446
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
CID 155949381
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
CID 155949392
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
N-[2-(aminomethyl)cyclopentyl]-5-chloro-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120711097
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
CID 120664583
5-chloro-2-(2-cyclopropylethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825342
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride (CID 120713968) is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cc(Cl)ccc1OC(C)COC.Cl.
What is the InChIKey of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride?
The InChIKey is WGDAANVBAPGECY-BAVFUAOSSA-N. The full InChI is InChI=1S/C15H25ClN2O4S.ClH/c1-5-17-11(2)9-18-23(19,20)15-8-13(16)6-7-14(15)22-12(3)10-21-4;/h6-8,11-12,17-18H,5,9-10H2,1-4H3;1H/t11-,12?;/m1./s1.
What are the key properties of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride?
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride has a molecular weight of 401.36 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).