N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide

C14H13FN2O3S — CID 43444152

IUPACN-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
SMILESNc1cc(NC(=O)CS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C14H13FN2O3S/c15-12-7-6-10(8-13(12)16)17-14(18)9-21(19,20)11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18)
InChIKeyNBHKNQLEFBNUTL-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.82
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide

N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide (PubChem CID 43444152) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
PubChem CID43444152
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
SMILESNc1cc(NC(=O)CS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C14H13FN2O3S/c15-12-7-6-10(8-13(12)16)17-14(18)9-21(19,20)11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18)
InChIKeyNBHKNQLEFBNUTL-UHFFFAOYSA-N
XLogP1.82
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.82
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

N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443998
N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
(3-amino-4-fluorophenyl)urea
CID 16776521
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 86992863
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7544010
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242
methyl 2-[3-(3-amino-4-fluoroanilino)-3-oxopropyl]sulfonylacetate
CID 43618130
2-(benzenesulfonyl)-N-(2-oxochromen-6-yl)acetamide
CID 3978190

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide (CID 43444152) is N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide is Nc1cc(NC(=O)CS(=O)(=O)c2ccccc2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide?
The InChIKey is NBHKNQLEFBNUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-12-7-6-10(8-13(12)16)17-14(18)9-21(19,20)11-4-2-1-3-5-11/h1-8H,9,16H2,(H,17,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide?
N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide has a molecular weight of 308.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide is sourced from PubChem (CID 43444152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).