3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide

C11H24ClNO2S — CID 83146748

IUPAC3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-9(6-12)8-16(14,15)13-7-10(2)11(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyIUSZCYDDVDCGHA-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.46
Rot. Bonds6

About 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide

3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide (PubChem CID 83146748) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
PubChem CID83146748
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H24ClNO2S/c1-9(6-12)8-16(14,15)13-7-10(2)11(3,4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyIUSZCYDDVDCGHA-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.46
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-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide (CID 83146748) is 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide?
The InChIKey is IUSZCYDDVDCGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-9(6-12)8-16(14,15)13-7-10(2)11(3,4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 83146748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).