2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

C10H13ClFNO3S — CID 82724404

IUPAC2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO3S/c1-10(2,3)16-13-17(14,15)9-5-4-7(12)6-8(9)11/h4-6,13H,1-3H3
InChIKeyBVIDLSZVXXFIBY-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.49
Rot. Bonds3

About 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide

2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (PubChem CID 82724404) has the molecular formula C10H13ClFNO3S and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
PubChem CID82724404
Molecular FormulaC10H13ClFNO3S
Molecular Weight281.74 g/mol
Exact Mass281.03
IUPAC Name2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
SMILESCC(C)(C)ONS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO3S/c1-10(2,3)16-13-17(14,15)9-5-4-7(12)6-8(9)11/h4-6,13H,1-3H3
InChIKeyBVIDLSZVXXFIBY-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
3-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724295
methyl 2-chloro-4-fluorobenzenesulfonate
CID 89056291
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936858
methyl 2-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methylpentanoate
CID 43431070
4-bromo-2,6-dichloro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82723965
N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 114384009
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide (CID 82724404) is 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is CC(C)(C)ONS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
The InChIKey is BVIDLSZVXXFIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3S/c1-10(2,3)16-13-17(14,15)9-5-4-7(12)6-8(9)11/h4-6,13H,1-3H3.
What are the key properties of 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide?
2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide has a molecular weight of 281.74 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 82724404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).