N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide

C8H18ClNO2S — CID 65032969

IUPACN-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H18ClNO2S/c1-5-8(4,6-9)10-13(11,12)7(2)3/h7,10H,5-6H2,1-4H3
InChIKeyGFNXTQISSAOBDF-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.72
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide

N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide (PubChem CID 65032969) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide
PubChem CID65032969
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H18ClNO2S/c1-5-8(4,6-9)10-13(11,12)7(2)3/h7,10H,5-6H2,1-4H3
InChIKeyGFNXTQISSAOBDF-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.72
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 N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide (CID 65032969) is N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide is CCC(C)(CCl)NS(=O)(=O)C(C)C.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide?
The InChIKey is GFNXTQISSAOBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-5-8(4,6-9)10-13(11,12)7(2)3/h7,10H,5-6H2,1-4H3.
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide?
N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide has a molecular weight of 227.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 65032969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).