3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide

C11H24ClNO2S — CID 60959062

IUPAC3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-4-5-6-9-13(11(2)3)16(14,15)10-7-8-12/h11H,4-10H2,1-3H3
InChIKeyTUDQDYIJPKYYHH-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.85
Rot. Bonds9

About 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide

3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 60959062) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide
PubChem CID60959062
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-4-5-6-9-13(11(2)3)16(14,15)10-7-8-12/h11H,4-10H2,1-3H3
InChIKeyTUDQDYIJPKYYHH-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.85
H-Bond Donors ≤ 50
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 3-chloro-N-pentyl-N-propan-2-ylpropane-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide (CID 60959062) is 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide is CCCCCN(C(C)C)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is TUDQDYIJPKYYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-4-5-6-9-13(11(2)3)16(14,15)10-7-8-12/h11H,4-10H2,1-3H3.
What are the key properties of 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide?
3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-pentyl-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 60959062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).