N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide

C13H19N3O3S — CID 83025778

IUPACN-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NN1CCOCC1
InChIInChI=1S/C13H19N3O3S/c17-20(18,15-11-5-6-11)13-4-2-1-3-12(13)14-16-7-9-19-10-8-16/h1-4,11,14-15H,5-10H2
InChIKeyYVAUCWNKEUMORJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.79
Rot. Bonds5

About N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide

N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide (PubChem CID 83025778) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide
PubChem CID83025778
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccccc1NN1CCOCC1
InChIInChI=1S/C13H19N3O3S/c17-20(18,15-11-5-6-11)13-4-2-1-3-12(13)14-16-7-9-19-10-8-16/h1-4,11,14-15H,5-10H2
InChIKeyYVAUCWNKEUMORJ-UHFFFAOYSA-N
XLogP0.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide (CID 83025778) is N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccccc1NN1CCOCC1.
What is the InChIKey of N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide?
The InChIKey is YVAUCWNKEUMORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-20(18,15-11-5-6-11)13-4-2-1-3-12(13)14-16-7-9-19-10-8-16/h1-4,11,14-15H,5-10H2.
What are the key properties of N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide?
N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 83025778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).