2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide

C10H10Cl2FNO3S — CID 103088593

IUPAC2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H10Cl2FNO3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-5-3-6(15)4-5/h1-2,5-6,14-15H,3-4H2
InChIKeyVMTHITDPGPDPRH-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.93
Rot. Bonds3

About 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide (PubChem CID 103088593) has the molecular formula C10H10Cl2FNO3S and a molecular weight of 314.17 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
PubChem CID103088593
Molecular FormulaC10H10Cl2FNO3S
Molecular Weight314.17 g/mol
Exact Mass312.97
IUPAC Name2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
SMILESO=S(=O)(NC1CC(O)C1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H10Cl2FNO3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-5-3-6(15)4-5/h1-2,5-6,14-15H,3-4H2
InChIKeyVMTHITDPGPDPRH-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide (CID 103088593) is 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide is O=S(=O)(NC1CC(O)C1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
The InChIKey is VMTHITDPGPDPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO3S/c11-7-1-2-8(9(12)10(7)13)18(16,17)14-5-3-6(15)4-5/h1-2,5-6,14-15H,3-4H2.
What are the key properties of 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide has a molecular weight of 314.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide is sourced from PubChem (CID 103088593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).