N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide

C9H11ClF2N2O2S — CID 67042982

IUPACN-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
SMILESNc1c(F)ccc(NS(=O)(=O)CCCF)c1Cl
InChIInChI=1S/C9H11ClF2N2O2S/c10-8-7(3-2-6(12)9(8)13)14-17(15,16)5-1-4-11/h2-3,14H,1,4-5,13H2
InChIKeyVHQCSRXUPSGLTJ-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.16
Rot. Bonds5

About N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide

N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide (PubChem CID 67042982) has the molecular formula C9H11ClF2N2O2S and a molecular weight of 284.72 g/mol. Its IUPAC name is N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
PubChem CID67042982
Molecular FormulaC9H11ClF2N2O2S
Molecular Weight284.72 g/mol
Exact Mass284.02
IUPAC NameN-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
SMILESNc1c(F)ccc(NS(=O)(=O)CCCF)c1Cl
InChIInChI=1S/C9H11ClF2N2O2S/c10-8-7(3-2-6(12)9(8)13)14-17(15,16)5-1-4-11/h2-3,14H,1,4-5,13H2
InChIKeyVHQCSRXUPSGLTJ-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide (CID 67042982) is N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide is Nc1c(F)ccc(NS(=O)(=O)CCCF)c1Cl.
What is the InChIKey of N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide?
The InChIKey is VHQCSRXUPSGLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O2S/c10-8-7(3-2-6(12)9(8)13)14-17(15,16)5-1-4-11/h2-3,14H,1,4-5,13H2.
What are the key properties of N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide?
N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide has a molecular weight of 284.72 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 67042982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).