N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride

C14H25ClFN3O4S2 — CID 120664769

IUPACN-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)NCC)cc1F.Cl
InChIInChI=1S/C14H24FN3O4S2.ClH/c1-4-8-23(19,20)18-14-7-6-12(9-13(14)15)24(21,22)17-10-11(3)16-5-2;/h6-7,9,11,16-18H,4-5,8,10H2,1-3H3;1H/t11-;/m1./s1
InChIKeyCUBAKGSKSMGLNI-RFVHGSKJSA-N
MW417.96 g/mol
LogP1.68
Rot. Bonds10

About N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride (PubChem CID 120664769) has the molecular formula C14H25ClFN3O4S2 and a molecular weight of 417.96 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride
PubChem CID120664769
Molecular FormulaC14H25ClFN3O4S2
Molecular Weight417.96 g/mol
Exact Mass417.10
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)NCC)cc1F.Cl
InChIInChI=1S/C14H24FN3O4S2.ClH/c1-4-8-23(19,20)18-14-7-6-12(9-13(14)15)24(21,22)17-10-11(3)16-5-2;/h6-7,9,11,16-18H,4-5,8,10H2,1-3H3;1H/t11-;/m1./s1
InChIKeyCUBAKGSKSMGLNI-RFVHGSKJSA-N
XLogP1.68
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 120664861
4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825305
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120713890
N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
3-fluoro-N-[2-(methylamino)propyl]-4-(propan-2-ylsulfonylamino)benzenesulfonamide;hydrochloride
CID 120825450
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
3-cyano-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 120664948
N-(2,6-diethylphenyl)-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide
CID 75435489
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
3-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 120664929
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride (CID 120664769) is N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride is CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H](C)NCC)cc1F.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride?
The InChIKey is CUBAKGSKSMGLNI-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H24FN3O4S2.ClH/c1-4-8-23(19,20)18-14-7-6-12(9-13(14)15)24(21,22)17-10-11(3)16-5-2;/h6-7,9,11,16-18H,4-5,8,10H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-fluoro-4-(propylsulfonylamino)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120664769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).