3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride

C15H15FN2O5S2 — CID 166407089

IUPAC3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
SMILESO=C(NCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O5S2/c16-24(20,21)13-7-4-8-14(11-13)25(22,23)18-10-9-17-15(19)12-5-2-1-3-6-12/h1-8,11,18H,9-10H2,(H,17,19)
InChIKeyNUYLFNNQGATADU-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.05
Rot. Bonds7

About 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride

3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 166407089) has the molecular formula C15H15FN2O5S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
PubChem CID166407089
Molecular FormulaC15H15FN2O5S2
Molecular Weight386.43 g/mol
Exact Mass386.04
IUPAC Name3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
SMILESO=C(NCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O5S2/c16-24(20,21)13-7-4-8-14(11-13)25(22,23)18-10-9-17-15(19)12-5-2-1-3-6-12/h1-8,11,18H,9-10H2,(H,17,19)
InChIKeyNUYLFNNQGATADU-UHFFFAOYSA-N
XLogP1.05
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
CID 32999320
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
N-[2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]ethyl]benzamide
CID 24663432

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride (CID 166407089) is 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride is O=C(NCCNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)c1ccccc1.
What is the InChIKey of 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is NUYLFNNQGATADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S2/c16-24(20,21)13-7-4-8-14(11-13)25(22,23)18-10-9-17-15(19)12-5-2-1-3-6-12/h1-8,11,18H,9-10H2,(H,17,19).
What are the key properties of 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride?
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride has a molecular weight of 386.43 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 166407089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).