ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride

C14H22ClFN2O4S — CID 120664775

IUPACethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(F)cc(C(=O)OCC)c1.Cl
InChIInChI=1S/C14H21FN2O4S.ClH/c1-4-16-10(3)9-17-22(19,20)13-7-11(6-12(15)8-13)14(18)21-5-2;/h6-8,10,16-17H,4-5,9H2,1-3H3;1H/t10-;/m1./s1
InChIKeyHYBMDUBMWXONOF-HNCPQSOCSA-N
MW368.86 g/mol
LogP1.70
Rot. Bonds8

About ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride

ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride (PubChem CID 120664775) has the molecular formula C14H22ClFN2O4S and a molecular weight of 368.86 g/mol. Its IUPAC name is ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride
PubChem CID120664775
Molecular FormulaC14H22ClFN2O4S
Molecular Weight368.86 g/mol
Exact Mass368.10
IUPAC Nameethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1cc(F)cc(C(=O)OCC)c1.Cl
InChIInChI=1S/C14H21FN2O4S.ClH/c1-4-16-10(3)9-17-22(19,20)13-7-11(6-12(15)8-13)14(18)21-5-2;/h6-8,10,16-17H,4-5,9H2,1-3H3;1H/t10-;/m1./s1
InChIKeyHYBMDUBMWXONOF-HNCPQSOCSA-N
XLogP1.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]benzoate
CID 120720148
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120664749
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
ethyl 3-fluoro-5-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate
CID 120722828
ethyl 3-fluoro-5-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726431
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 120665116
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
3-cyano-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 120664948
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride?
The IUPAC name of ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride (CID 120664775) is ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride.
What is the SMILES notation for ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride?
The canonical SMILES for ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1cc(F)cc(C(=O)OCC)c1.Cl.
What is the InChIKey of ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride?
The InChIKey is HYBMDUBMWXONOF-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H21FN2O4S.ClH/c1-4-16-10(3)9-17-22(19,20)13-7-11(6-12(15)8-13)14(18)21-5-2;/h6-8,10,16-17H,4-5,9H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride?
ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride has a molecular weight of 368.86 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-fluorobenzoate;hydrochloride is sourced from PubChem (CID 120664775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).