3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide

C13H12FN3O3S — CID 43436961

IUPAC3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1F
InChIInChI=1S/C13H12FN3O3S/c14-11-5-4-8(6-12(11)15)13(18)17-9-2-1-3-10(7-9)21(16,19)20/h1-7H,15H2,(H,17,18)(H2,16,19,20)
InChIKeyNPDFPLCMECKZFZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide

3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide (PubChem CID 43436961) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
PubChem CID43436961
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1F
InChIInChI=1S/C13H12FN3O3S/c14-11-5-4-8(6-12(11)15)13(18)17-9-2-1-3-10(7-9)21(16,19)20/h1-7H,15H2,(H,17,18)(H2,16,19,20)
InChIKeyNPDFPLCMECKZFZ-UHFFFAOYSA-N
XLogP1.31
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.31
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

3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
3-(difluoromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 175329442
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 43436989
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 61251224
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide (CID 43436961) is 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide is Nc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is NPDFPLCMECKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c14-11-5-4-8(6-12(11)15)13(18)17-9-2-1-3-10(7-9)21(16,19)20/h1-7H,15H2,(H,17,18)(H2,16,19,20).
What are the key properties of 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide?
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 309.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 43436961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).