N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide

C11H15ClFNO2S — CID 65033017

IUPACN-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H15ClFNO2S/c1-3-11(2,8-12)14-17(15,16)10-6-4-5-9(13)7-10/h4-7,14H,3,8H2,1-2H3
InChIKeyMSZVYJVUIAYQJM-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.51
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide

N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 65033017) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide
PubChem CID65033017
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide
SMILESCCC(C)(CCl)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H15ClFNO2S/c1-3-11(2,8-12)14-17(15,16)10-6-4-5-9(13)7-10/h4-7,14H,3,8H2,1-2H3
InChIKeyMSZVYJVUIAYQJM-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.51
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)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide (CID 65033017) is N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide is CCC(C)(CCl)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is MSZVYJVUIAYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-3-11(2,8-12)14-17(15,16)10-6-4-5-9(13)7-10/h4-7,14H,3,8H2,1-2H3.
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide?
N-(1-chloro-2-methylbutan-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 279.76 g/mol, XLogP of 2.51, 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)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 65033017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).