2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C10H12FN3O3S — CID 114154874

IUPAC2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H12FN3O3S/c11-6-1-2-9(8(12)3-6)18(16,17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15)
InChIKeyPVBYXWNTGZKEEE-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.43
Rot. Bonds3

About 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 114154874) has the molecular formula C10H12FN3O3S and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID114154874
Molecular FormulaC10H12FN3O3S
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC Name2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C10H12FN3O3S/c11-6-1-2-9(8(12)3-6)18(16,17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15)
InChIKeyPVBYXWNTGZKEEE-UHFFFAOYSA-N
XLogP-0.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180872
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 114154854
3-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181069
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183085
3-amino-4-chloro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181167
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011
2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 115630700
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
2-bromo-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 104696900
3-amino-4-nitro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106197698
5-amino-4-bromo-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181148
6-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106180960

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 114154874) is 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is PVBYXWNTGZKEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3S/c11-6-1-2-9(8(12)3-6)18(16,17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15).
What are the key properties of 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 273.29 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 114154874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).