2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide

C7H16ClNO3S — CID 107652469

IUPAC2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)CCCl
InChIInChI=1S/C7H16ClNO3S/c1-6(5-10)7(2)9-13(11,12)4-3-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyBGENPEPMLGZLPN-UHFFFAOYSA-N
MW229.73 g/mol
LogP0.16
Rot. Bonds6

About 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide

2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide (PubChem CID 107652469) has the molecular formula C7H16ClNO3S and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide
PubChem CID107652469
Molecular FormulaC7H16ClNO3S
Molecular Weight229.73 g/mol
Exact Mass229.05
IUPAC Name2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)CCCl
InChIInChI=1S/C7H16ClNO3S/c1-6(5-10)7(2)9-13(11,12)4-3-8/h6-7,9-10H,3-5H2,1-2H3
InChIKeyBGENPEPMLGZLPN-UHFFFAOYSA-N
XLogP0.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(4-hydroxy-3-methylbutan-2-yl)butane-1-sulfonamide
CID 115967682
1-hydroxy-2-methyl-3-(sulfamoylamino)butane
CID 115643202
2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
CID 79589472
methyl 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoylmethyl]benzoate
CID 115754806
2-(2-chloroethylsulfonylamino)-N-propylpropanamide
CID 107651325
2-chloro-N-pent-4-yn-2-ylethanesulfonamide
CID 107652458
1-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106162657
4-chloro-N-(3-ethylpentan-2-yl)butane-1-sulfonamide
CID 116816202
4-chloro-N-(4-hydroxypentan-2-yl)butane-1-sulfonamide
CID 116816469
2-[(4-hydroxy-3-methylbutan-2-yl)amino]ethanesulfonamide
CID 114385300
1-bromo-N-(3-methylpentan-2-yl)methanesulfonamide
CID 83086988
2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113318363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide (CID 107652469) is 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide is CC(CO)C(C)NS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide?
The InChIKey is BGENPEPMLGZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClNO3S/c1-6(5-10)7(2)9-13(11,12)4-3-8/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide?
2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide has a molecular weight of 229.73 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-3-methylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 107652469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).