4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid

C18H28N2O7S — CID 56603480

IUPAC4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O3S.C2H2O4/c1-16(2,3)14-4-6-15(7-5-14)22(19,20)17-8-9-18-10-12-21-13-11-18;3-1(4)2(5)6/h4-7,17H,8-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyXKPQPPNUULESEA-UHFFFAOYSA-N
MW416.50 g/mol
LogP0.75
Rot. Bonds5

About 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid

4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid (PubChem CID 56603480) has the molecular formula C18H28N2O7S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid.

Molecular Properties

Compound Name4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
PubChem CID56603480
Molecular FormulaC18H28N2O7S
Molecular Weight416.50 g/mol
Exact Mass416.16
IUPAC Name4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O3S.C2H2O4/c1-16(2,3)14-4-6-15(7-5-14)22(19,20)17-8-9-18-10-12-21-13-11-18;3-1(4)2(5)6/h4-7,17H,8-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyXKPQPPNUULESEA-UHFFFAOYSA-N
XLogP0.75
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-morpholin-4-ylethylsulfamoyl)-N-propan-2-ylbenzamide
CID 109058127
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722694
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110316594
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
4-tert-butyl-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55518467
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid?
The IUPAC name of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid (CID 56603480) is 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid.
What is the SMILES notation for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid?
The canonical SMILES for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid is CC(C)(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid?
The InChIKey is XKPQPPNUULESEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.C2H2O4/c1-16(2,3)14-4-6-15(7-5-14)22(19,20)17-8-9-18-10-12-21-13-11-18;3-1(4)2(5)6/h4-7,17H,8-13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid?
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid has a molecular weight of 416.50 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid is sourced from PubChem (CID 56603480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).