1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide

C8H18ClNO3S — CID 106353480

IUPAC1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-8(2,3)7(4-5-11)10-14(12,13)6-9/h7,10-11H,4-6H2,1-3H3
InChIKeyFFKHFZTVLUIINP-UHFFFAOYSA-N
MW243.76 g/mol
LogP0.90
Rot. Bonds5

About 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide

1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide (PubChem CID 106353480) has the molecular formula C8H18ClNO3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
PubChem CID106353480
Molecular FormulaC8H18ClNO3S
Molecular Weight243.76 g/mol
Exact Mass243.07
IUPAC Name1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)CCl
InChIInChI=1S/C8H18ClNO3S/c1-8(2,3)7(4-5-11)10-14(12,13)6-9/h7,10-11H,4-6H2,1-3H3
InChIKeyFFKHFZTVLUIINP-UHFFFAOYSA-N
XLogP0.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide (CID 106353480) is 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide is CC(C)(C)C(CCO)NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
The InChIKey is FFKHFZTVLUIINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO3S/c1-8(2,3)7(4-5-11)10-14(12,13)6-9/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide?
1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide has a molecular weight of 243.76 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 106353480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).