N-phenyl-6-(sulfamoylamino)hexanamide

C12H19N3O3S — CID 25216937

IUPACN-phenyl-6-(sulfamoylamino)hexanamide
SMILESNS(=O)(=O)NCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H19N3O3S/c13-19(17,18)14-10-6-2-5-9-12(16)15-11-7-3-1-4-8-11/h1,3-4,7-8,14H,2,5-6,9-10H2,(H,15,16)(H2,13,17,18)
InChIKeyGJBBLVDVDAQQMI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.98
Rot. Bonds8

About N-phenyl-6-(sulfamoylamino)hexanamide

N-phenyl-6-(sulfamoylamino)hexanamide (PubChem CID 25216937) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-phenyl-6-(sulfamoylamino)hexanamide.

Molecular Properties

Compound NameN-phenyl-6-(sulfamoylamino)hexanamide
PubChem CID25216937
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-phenyl-6-(sulfamoylamino)hexanamide
SMILESNS(=O)(=O)NCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H19N3O3S/c13-19(17,18)14-10-6-2-5-9-12(16)15-11-7-3-1-4-8-11/h1,3-4,7-8,14H,2,5-6,9-10H2,(H,15,16)(H2,13,17,18)
InChIKeyGJBBLVDVDAQQMI-UHFFFAOYSA-N
XLogP0.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-phenyl-6-(sulfamoylamino)hexanamide?
The IUPAC name of N-phenyl-6-(sulfamoylamino)hexanamide (CID 25216937) is N-phenyl-6-(sulfamoylamino)hexanamide.
What is the SMILES notation for N-phenyl-6-(sulfamoylamino)hexanamide?
The canonical SMILES for N-phenyl-6-(sulfamoylamino)hexanamide is NS(=O)(=O)NCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-6-(sulfamoylamino)hexanamide?
The InChIKey is GJBBLVDVDAQQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c13-19(17,18)14-10-6-2-5-9-12(16)15-11-7-3-1-4-8-11/h1,3-4,7-8,14H,2,5-6,9-10H2,(H,15,16)(H2,13,17,18).
What are the key properties of N-phenyl-6-(sulfamoylamino)hexanamide?
N-phenyl-6-(sulfamoylamino)hexanamide has a molecular weight of 285.37 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(sulfamoylamino)hexanamide is sourced from PubChem (CID 25216937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).