N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 120825215

IUPACN-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-12(16-2)11-17-23(20,21)14-5-3-13(4-6-14)15(19)18-7-9-22-10-8-18;/h3-6,12,16-17H,7-11H2,1-2H3;1H
InChIKeyHGOSPUYHOQOZHX-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.47
Rot. Bonds6

About N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride

N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 120825215) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID120825215
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC NameN-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-12(16-2)11-17-23(20,21)14-5-3-13(4-6-14)15(19)18-7-9-22-10-8-18;/h3-6,12,16-17H,7-11H2,1-2H3;1H
InChIKeyHGOSPUYHOQOZHX-UHFFFAOYSA-N
XLogP0.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
N-[1-(2-methylphenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 86984239
N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119986557
4-(morpholine-4-carbonyl)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960379
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37498704
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride (CID 120825215) is N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is HGOSPUYHOQOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-12(16-2)11-17-23(20,21)14-5-3-13(4-6-14)15(19)18-7-9-22-10-8-18;/h3-6,12,16-17H,7-11H2,1-2H3;1H.
What are the key properties of N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride?
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120825215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).