6-chloro-N-propylhexane-1-sulfonamide

C9H20ClNO2S — CID 57002530

IUPAC6-chloro-N-propylhexane-1-sulfonamide
SMILESCCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-2-8-11-14(12,13)9-6-4-3-5-7-10/h11H,2-9H2,1H3
InChIKeyOHUQJRFOPXNWHG-UHFFFAOYSA-N
MW241.78 g/mol
LogP2.12
Rot. Bonds9

About 6-chloro-N-propylhexane-1-sulfonamide

6-chloro-N-propylhexane-1-sulfonamide (PubChem CID 57002530) has the molecular formula C9H20ClNO2S and a molecular weight of 241.78 g/mol. Its IUPAC name is 6-chloro-N-propylhexane-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-propylhexane-1-sulfonamide
PubChem CID57002530
Molecular FormulaC9H20ClNO2S
Molecular Weight241.78 g/mol
Exact Mass241.09
IUPAC Name6-chloro-N-propylhexane-1-sulfonamide
SMILESCCCNS(=O)(=O)CCCCCCCl
InChIInChI=1S/C9H20ClNO2S/c1-2-8-11-14(12,13)9-6-4-3-5-7-10/h11H,2-9H2,1H3
InChIKeyOHUQJRFOPXNWHG-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'}

Analyze 6-chloro-N-propylhexane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-methylhexane-1-sulfonamide
CID 13468216
N-amyl-4-chlorobutanesulfonamide
CID 13468220
N-[(2R)-2-chlorohexyl]ethanesulfonamide
CID 134933923
N-[(2R)-1-chlorohexan-2-yl]ethanesulfonamide
CID 134934526
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106135566
N-(6-chlorohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107849243
N-(1-chloropentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116271061
N-(2-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116271156
3-chloro-N-propylpropane-1-sulfonamide
CID 10397875
3-chloro-N-(2-methylpropyl)propane-1-sulfonamide
CID 10560557
N-ethyl-3-chloro propylsulfonamide
CID 10750033
N-cyclopropyl-6-chlorohexanesulfonamide
CID 11010063

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propylhexane-1-sulfonamide?
The IUPAC name of 6-chloro-N-propylhexane-1-sulfonamide (CID 57002530) is 6-chloro-N-propylhexane-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-propylhexane-1-sulfonamide?
The canonical SMILES for 6-chloro-N-propylhexane-1-sulfonamide is CCCNS(=O)(=O)CCCCCCCl.
What is the InChIKey of 6-chloro-N-propylhexane-1-sulfonamide?
The InChIKey is OHUQJRFOPXNWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2S/c1-2-8-11-14(12,13)9-6-4-3-5-7-10/h11H,2-9H2,1H3.
What are the key properties of 6-chloro-N-propylhexane-1-sulfonamide?
6-chloro-N-propylhexane-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 6-chloro-N-propylhexane-1-sulfonamide is sourced from PubChem (CID 57002530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).