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

C6H14ClNO2S — CID 10104225

IUPAC3-chloro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCl
InChIInChI=1S/C6H14ClNO2S/c1-6(2)8-11(9,10)5-3-4-7/h6,8H,3-5H2,1-2H3
InChIKeyPRAGHIWWGILIPE-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.94
Rot. Bonds5

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

3-chloro-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 10104225) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 3-chloro-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-propan-2-ylpropane-1-sulfonamide
PubChem CID10104225
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name3-chloro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCCCl
InChIInChI=1S/C6H14ClNO2S/c1-6(2)8-11(9,10)5-3-4-7/h6,8H,3-5H2,1-2H3
InChIKeyPRAGHIWWGILIPE-UHFFFAOYSA-N
XLogP0.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-propan-2-ylpropane-1-sulfonamide (CID 10104225) is 3-chloro-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-propan-2-ylpropane-1-sulfonamide is CC(C)NS(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is PRAGHIWWGILIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO2S/c1-6(2)8-11(9,10)5-3-4-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 3-chloro-N-propan-2-ylpropane-1-sulfonamide?
3-chloro-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 199.70 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 10104225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).