4-chloro-N-pentylbutane-1-sulfonamide

C9H20ClNO2S — CID 13468220

IUPAC4-chloro-N-pentylbutane-1-sulfonamide
SMILESCCCCCNS(=O)(=O)CCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-2-3-5-8-11-14(12,13)9-6-4-7-10/h11H,2-9H2,1H3
InChIKeyZGIBVZYNNYMEAL-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.12
Rot. Bonds9

About 4-chloro-N-pentylbutane-1-sulfonamide

4-chloro-N-pentylbutane-1-sulfonamide (PubChem CID 13468220) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 4-chloro-N-pentylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-pentylbutane-1-sulfonamide
PubChem CID13468220
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name4-chloro-N-pentylbutane-1-sulfonamide
SMILESCCCCCNS(=O)(=O)CCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-2-3-5-8-11-14(12,13)9-6-4-7-10/h11H,2-9H2,1H3
InChIKeyZGIBVZYNNYMEAL-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentylbutane-1-sulfonamide?
The IUPAC name of 4-chloro-N-pentylbutane-1-sulfonamide (CID 13468220) is 4-chloro-N-pentylbutane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-pentylbutane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-pentylbutane-1-sulfonamide is CCCCCNS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-pentylbutane-1-sulfonamide?
The InChIKey is ZGIBVZYNNYMEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-2-3-5-8-11-14(12,13)9-6-4-7-10/h11H,2-9H2,1H3.
What are the key properties of 4-chloro-N-pentylbutane-1-sulfonamide?
4-chloro-N-pentylbutane-1-sulfonamide has a molecular weight of 241.78 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentylbutane-1-sulfonamide is sourced from PubChem (CID 13468220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).