N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide

C17H22N2O4S2 — CID 645274

IUPACN-[5-(benzenesulfonamido)pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2O4S2/c20-24(21,16-10-4-1-5-11-16)18-14-8-3-9-15-19-25(22,23)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyLUHVSZLRUBXKKD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.11
Rot. Bonds10

About N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide

N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide (PubChem CID 645274) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonamido)pentyl]benzenesulfonamide
PubChem CID645274
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[5-(benzenesulfonamido)pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22N2O4S2/c20-24(21,16-10-4-1-5-11-16)18-14-8-3-9-15-19-25(22,23)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyLUHVSZLRUBXKKD-UHFFFAOYSA-N
XLogP2.11
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-[5-(benzenesulfonamido)pentyl]benzenesulfonamide?
The IUPAC name of N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide (CID 645274) is N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide?
The canonical SMILES for N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide is O=S(=O)(NCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide?
The InChIKey is LUHVSZLRUBXKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c20-24(21,16-10-4-1-5-11-16)18-14-8-3-9-15-19-25(22,23)17-12-6-2-7-13-17/h1-2,4-7,10-13,18-19H,3,8-9,14-15H2.
What are the key properties of N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide?
N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonamido)pentyl]benzenesulfonamide is sourced from PubChem (CID 645274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).