3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide

C11H10ClFN4O2S — CID 116792388

IUPAC3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1F
InChIInChI=1S/C11H10ClFN4O2S/c1-6-8(13)4-7(5-9(6)14)20(18,19)17-11-3-2-10(12)15-16-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyDTFYRAWBOVXCTI-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.96
Rot. Bonds3

About 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide

3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide (PubChem CID 116792388) has the molecular formula C11H10ClFN4O2S and a molecular weight of 316.75 g/mol. Its IUPAC name is 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide
PubChem CID116792388
Molecular FormulaC11H10ClFN4O2S
Molecular Weight316.75 g/mol
Exact Mass316.02
IUPAC Name3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1F
InChIInChI=1S/C11H10ClFN4O2S/c1-6-8(13)4-7(5-9(6)14)20(18,19)17-11-3-2-10(12)15-16-11/h2-5H,14H2,1H3,(H,16,17)
InChIKeyDTFYRAWBOVXCTI-UHFFFAOYSA-N
XLogP1.96
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 116791313
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116792346
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3,4-dichloro-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 113235700
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975
3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 116792354
N-(6-chloropyridazin-3-yl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzenesulfonamide
CID 7574897
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
3-amino-N-(4-chloro-3-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 61467057
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791735

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide (CID 116792388) is 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1F.
What is the InChIKey of 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide?
The InChIKey is DTFYRAWBOVXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O2S/c1-6-8(13)4-7(5-9(6)14)20(18,19)17-11-3-2-10(12)15-16-11/h2-5H,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide?
3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide has a molecular weight of 316.75 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 116792388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).