N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide

C10H13F2N3O2S — CID 67043057

IUPACN-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
SMILESNc1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F
InChIInChI=1S/C10H13F2N3O2S/c11-7-3-4-8(9(12)10(7)13)14-18(16,17)15-5-1-2-6-15/h3-4,14H,1-2,5-6,13H2
InChIKeyQWLSXUMWVFPCBR-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.30
Rot. Bonds3

About N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide

N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide (PubChem CID 67043057) has the molecular formula C10H13F2N3O2S and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
PubChem CID67043057
Molecular FormulaC10H13F2N3O2S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC NameN-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide
SMILESNc1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F
InChIInChI=1S/C10H13F2N3O2S/c11-7-3-4-8(9(12)10(7)13)14-18(16,17)15-5-1-2-6-15/h3-4,14H,1-2,5-6,13H2
InChIKeyQWLSXUMWVFPCBR-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.30
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-2,4-difluorophenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide (CID 67043057) is N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide is Nc1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F.
What is the InChIKey of N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide?
The InChIKey is QWLSXUMWVFPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2S/c11-7-3-4-8(9(12)10(7)13)14-18(16,17)15-5-1-2-6-15/h3-4,14H,1-2,5-6,13H2.
What are the key properties of N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide?
N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide has a molecular weight of 277.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-difluorophenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 67043057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).