4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide

C18H14FN3O3S — CID 69327977

IUPAC4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C18H14FN3O3S/c19-12-5-10-17(21-11-12)18(23)15-3-1-2-4-16(15)22-26(24,25)14-8-6-13(20)7-9-14/h1-11,22H,20H2
InChIKeyPQNMAFGSTJAWSF-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.83
Rot. Bonds5

About 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide

4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide (PubChem CID 69327977) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide
PubChem CID69327977
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C18H14FN3O3S/c19-12-5-10-17(21-11-12)18(23)15-3-1-2-4-16(15)22-26(24,25)14-8-6-13(20)7-9-14/h1-11,22H,20H2
InChIKeyPQNMAFGSTJAWSF-UHFFFAOYSA-N
XLogP2.83
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,2'-Pyridylisatogen tosylate
CID 124333
2-Amino-5-(pyridin-4-yl)-3-(4-sulfamoylphenyl)benzamide
CID 16047968
Tetrahydrofuran-2-ylmethyl[4-({[2-(pyridin-2-ylcarbonyl)phenyl}-amino}sulfonyl)phenyl]carbamate
CID 24895550
Tetrahydrofuran-2-ylmethyl{4-[({2-[(5-fluoropyridin-2-yl)carbonyl]phenyl}amino)sulfonyl]phenyl}carbamate
CID 16041612
[1-(phenylsulfonyl)-1H-indol-2-yl](2-pyridinyl)methanone
CID 986167
N-Benzyl-N-pyridin-3-ylmethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 9826037
N-(4-(N-mesitylsulfamoyl)phenyl)picolinamide
CID 45111050
N-(4-(N-(2-fluorophenyl)sulfamoyl)phenyl)picolinamide
CID 45111509
N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)benzenesulfonamide
CID 53310399
2-[6-(2,4-difluorophenyl)-3-pyridyl]-3-methyl-1H-quinolin-4-one
CID 67617282
2-[6-(2-fluorophenyl)-3-pyridyl]-3-methyl-1H-quinolin-4-one
CID 67648027
N'-(2-fluorophenyl)sulfonyl-3-pyridin-2-ylbenzohydrazide
CID 124132172

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide (CID 69327977) is 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1.
What is the InChIKey of 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is PQNMAFGSTJAWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c19-12-5-10-17(21-11-12)18(23)15-3-1-2-4-16(15)22-26(24,25)14-8-6-13(20)7-9-14/h1-11,22H,20H2.
What are the key properties of 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide?
4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 371.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-fluoropyridine-2-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 69327977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).