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

C11H14FN3O3S — CID 82843661

IUPAC4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCC(=O)N2)cc1F
InChIInChI=1S/C11H14FN3O3S/c12-9-5-8(2-3-10(9)13)19(17,18)14-6-7-1-4-11(16)15-7/h2-3,5,7,14H,1,4,6,13H2,(H,15,16)
InChIKeyZAWXKYIFJXFAFC-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.04
Rot. Bonds4

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

4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide (PubChem CID 82843661) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
PubChem CID82843661
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC2CCC(=O)N2)cc1F
InChIInChI=1S/C11H14FN3O3S/c12-9-5-8(2-3-10(9)13)19(17,18)14-6-7-1-4-11(16)15-7/h2-3,5,7,14H,1,4,6,13H2,(H,15,16)
InChIKeyZAWXKYIFJXFAFC-UHFFFAOYSA-N
XLogP-0.04
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.04
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

N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
CID 95968969
4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 82844731
6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64600942
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79959373
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
3-amino-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 54927593
4-amino-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 114099078
4-(4-amino-3-fluorophenyl)sulfonylpiperazine-2,6-dione
CID 82843665

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide (CID 82843661) is 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCC2CCC(=O)N2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZAWXKYIFJXFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c12-9-5-8(2-3-10(9)13)19(17,18)14-6-7-1-4-11(16)15-7/h2-3,5,7,14H,1,4,6,13H2,(H,15,16).
What are the key properties of 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 287.32 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82843661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).