N-quinolin-3-yl-6-(sulfamoylamino)hexanamide

C15H20N4O3S — CID 44591342

IUPACN-quinolin-3-yl-6-(sulfamoylamino)hexanamide
SMILESNS(=O)(=O)NCCCCCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H20N4O3S/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,18H,1-2,5,8-9H2,(H,19,20)(H2,16,21,22)
InChIKeyHIRQWWZRMZTUFZ-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.53
Rot. Bonds8

About N-quinolin-3-yl-6-(sulfamoylamino)hexanamide

N-quinolin-3-yl-6-(sulfamoylamino)hexanamide (PubChem CID 44591342) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-quinolin-3-yl-6-(sulfamoylamino)hexanamide.

Molecular Properties

Compound NameN-quinolin-3-yl-6-(sulfamoylamino)hexanamide
PubChem CID44591342
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-quinolin-3-yl-6-(sulfamoylamino)hexanamide
SMILESNS(=O)(=O)NCCCCCC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H20N4O3S/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,18H,1-2,5,8-9H2,(H,19,20)(H2,16,21,22)
InChIKeyHIRQWWZRMZTUFZ-UHFFFAOYSA-N
XLogP1.53
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-6-(sulfamoylamino)hexanamide?
The IUPAC name of N-quinolin-3-yl-6-(sulfamoylamino)hexanamide (CID 44591342) is N-quinolin-3-yl-6-(sulfamoylamino)hexanamide.
What is the SMILES notation for N-quinolin-3-yl-6-(sulfamoylamino)hexanamide?
The canonical SMILES for N-quinolin-3-yl-6-(sulfamoylamino)hexanamide is NS(=O)(=O)NCCCCCC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of N-quinolin-3-yl-6-(sulfamoylamino)hexanamide?
The InChIKey is HIRQWWZRMZTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c16-23(21,22)18-9-5-1-2-8-15(20)19-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,18H,1-2,5,8-9H2,(H,19,20)(H2,16,21,22).
What are the key properties of N-quinolin-3-yl-6-(sulfamoylamino)hexanamide?
N-quinolin-3-yl-6-(sulfamoylamino)hexanamide has a molecular weight of 336.42 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-6-(sulfamoylamino)hexanamide is sourced from PubChem (CID 44591342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).