N-(6-hydroxyheptyl)benzenesulfonamide

C13H21NO3S — CID 91450460

IUPACN-(6-hydroxyheptyl)benzenesulfonamide
SMILESCC(O)CCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-12(15)8-4-3-7-11-14-18(16,17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15H,3-4,7-8,11H2,1H3
InChIKeyDHGQHZBZQCDNBM-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.91
Rot. Bonds8

About N-(6-hydroxyheptyl)benzenesulfonamide

N-(6-hydroxyheptyl)benzenesulfonamide (PubChem CID 91450460) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(6-hydroxyheptyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-hydroxyheptyl)benzenesulfonamide
PubChem CID91450460
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(6-hydroxyheptyl)benzenesulfonamide
SMILESCC(O)CCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-12(15)8-4-3-7-11-14-18(16,17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15H,3-4,7-8,11H2,1H3
InChIKeyDHGQHZBZQCDNBM-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
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-(6-hydroxyheptyl)benzenesulfonamide?
The IUPAC name of N-(6-hydroxyheptyl)benzenesulfonamide (CID 91450460) is N-(6-hydroxyheptyl)benzenesulfonamide.
What is the SMILES notation for N-(6-hydroxyheptyl)benzenesulfonamide?
The canonical SMILES for N-(6-hydroxyheptyl)benzenesulfonamide is CC(O)CCCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(6-hydroxyheptyl)benzenesulfonamide?
The InChIKey is DHGQHZBZQCDNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-12(15)8-4-3-7-11-14-18(16,17)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15H,3-4,7-8,11H2,1H3.
What are the key properties of N-(6-hydroxyheptyl)benzenesulfonamide?
N-(6-hydroxyheptyl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyheptyl)benzenesulfonamide is sourced from PubChem (CID 91450460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).