3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide

C10H22ClNO2S — CID 60959191

IUPAC3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO2S/c1-9(2)8-12(10(3)4)15(13,14)7-5-6-11/h9-10H,5-8H2,1-4H3
InChIKeyFOQKMVGYKSUPNB-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.31
Rot. Bonds7

About 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide

3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 60959191) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide
PubChem CID60959191
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)CN(C(C)C)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO2S/c1-9(2)8-12(10(3)4)15(13,14)7-5-6-11/h9-10H,5-8H2,1-4H3
InChIKeyFOQKMVGYKSUPNB-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.31
H-Bond Donors ≤ 50
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-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide (CID 60959191) is 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide is CC(C)CN(C(C)C)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is FOQKMVGYKSUPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-9(2)8-12(10(3)4)15(13,14)7-5-6-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide?
3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpropyl)-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 60959191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).