4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide

C12H17FN4O3S — CID 103296196

IUPAC4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
SMILESCc1cc(N)cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1F
InChIInChI=1S/C12H17FN4O3S/c1-8-6-9(14)7-10(11(8)13)12(18)16-2-4-17(5-3-16)21(15,19)20/h6-7H,2-5,14H2,1H3,(H2,15,19,20)
InChIKeyFNYBBFNREYGWMK-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.32
Rot. Bonds2

About 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide

4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide (PubChem CID 103296196) has the molecular formula C12H17FN4O3S and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
PubChem CID103296196
Molecular FormulaC12H17FN4O3S
Molecular Weight316.36 g/mol
Exact Mass316.10
IUPAC Name4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
SMILESCc1cc(N)cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1F
InChIInChI=1S/C12H17FN4O3S/c1-8-6-9(14)7-10(11(8)13)12(18)16-2-4-17(5-3-16)21(15,19)20/h6-7H,2-5,14H2,1H3,(H2,15,19,20)
InChIKeyFNYBBFNREYGWMK-UHFFFAOYSA-N
XLogP-0.32
TPSA109.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103296424
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 103296776
4-(5-amino-2-methoxybenzoyl)piperazine-1-sulfonamide
CID 61140082
(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103296901
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide
CID 81004842
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103295962
4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 81478255

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide (CID 103296196) is 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide is Cc1cc(N)cc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1F.
What is the InChIKey of 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide?
The InChIKey is FNYBBFNREYGWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O3S/c1-8-6-9(14)7-10(11(8)13)12(18)16-2-4-17(5-3-16)21(15,19)20/h6-7H,2-5,14H2,1H3,(H2,15,19,20).
What are the key properties of 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide?
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide has a molecular weight of 316.36 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 103296196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).