N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide

C15H23N3O4S — CID 119972328

IUPACN-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(16)6-7-17-23(20,21)14-4-2-13(3-5-14)15(19)18-8-10-22-11-9-18/h2-5,12,17H,6-11,16H2,1H3
InChIKeyJHJICNJIKUDCIN-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.17
Rot. Bonds6

About N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide

N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 119972328) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID119972328
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-12(16)6-7-17-23(20,21)14-4-2-13(3-5-14)15(19)18-8-10-22-11-9-18/h2-5,12,17H,6-11,16H2,1H3
InChIKeyJHJICNJIKUDCIN-UHFFFAOYSA-N
XLogP0.17
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 119972318
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
N-(3-aminobutyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119972317
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
N-[2-(2-fluorophenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37498704
N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119986557
4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120708563
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
N-[1-(2-methylphenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 86984239
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976886
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide (CID 119972328) is N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide is CC(N)CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is JHJICNJIKUDCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12(16)6-7-17-23(20,21)14-4-2-13(3-5-14)15(19)18-8-10-22-11-9-18/h2-5,12,17H,6-11,16H2,1H3.
What are the key properties of N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide?
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119972328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).