3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide

C16H17FN2O3S — CID 119032493

IUPAC3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S/c1-11(14-7-2-3-8-15(14)17)9-16(20)19-12-5-4-6-13(10-12)23(18,21)22/h2-8,10-11H,9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyZHAIJJRVYDZVCE-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.61
Rot. Bonds5

About 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide

3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide (PubChem CID 119032493) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide
PubChem CID119032493
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide
SMILESCC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1F
InChIInChI=1S/C16H17FN2O3S/c1-11(14-7-2-3-8-15(14)17)9-16(20)19-12-5-4-6-13(10-12)23(18,21)22/h2-8,10-11H,9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyZHAIJJRVYDZVCE-UHFFFAOYSA-N
XLogP2.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 8008810
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 4846215
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 123767879
(2-chloro-6-fluorophenyl)methyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
CID 9197414
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
CID 120505857
3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
1-propan-2-yl-3-(3-sulfamoylphenyl)thiourea
CID 7991852

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide (CID 119032493) is 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide is CC(CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide?
The InChIKey is ZHAIJJRVYDZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11(14-7-2-3-8-15(14)17)9-16(20)19-12-5-4-6-13(10-12)23(18,21)22/h2-8,10-11H,9H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide?
3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide has a molecular weight of 336.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 119032493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).