N-hexylbutane-1-sulfonamide

C10H23NO2S — CID 19681253

IUPACN-hexylbutane-1-sulfonamide
SMILESCCCCCCNS(=O)(=O)CCCC
InChIInChI=1S/C10H23NO2S/c1-3-5-7-8-9-11-14(12,13)10-6-4-2/h11H,3-10H2,1-2H3
InChIKeyMYZQLTCXCKXVHS-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.29
Rot. Bonds9

About N-hexylbutane-1-sulfonamide

N-hexylbutane-1-sulfonamide (PubChem CID 19681253) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-hexylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-hexylbutane-1-sulfonamide
PubChem CID19681253
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-hexylbutane-1-sulfonamide
SMILESCCCCCCNS(=O)(=O)CCCC
InChIInChI=1S/C10H23NO2S/c1-3-5-7-8-9-11-14(12,13)10-6-4-2/h11H,3-10H2,1-2H3
InChIKeyMYZQLTCXCKXVHS-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hexylbutane-1-sulfonamide?
The IUPAC name of N-hexylbutane-1-sulfonamide (CID 19681253) is N-hexylbutane-1-sulfonamide.
What is the SMILES notation for N-hexylbutane-1-sulfonamide?
The canonical SMILES for N-hexylbutane-1-sulfonamide is CCCCCCNS(=O)(=O)CCCC.
What is the InChIKey of N-hexylbutane-1-sulfonamide?
The InChIKey is MYZQLTCXCKXVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-3-5-7-8-9-11-14(12,13)10-6-4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-hexylbutane-1-sulfonamide?
N-hexylbutane-1-sulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylbutane-1-sulfonamide is sourced from PubChem (CID 19681253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).