N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide

C15H13ClF2N2O3S — CID 32999320

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O3S/c16-11-2-1-3-12(9-11)24(22,23)20-7-6-19-15(21)10-4-5-13(17)14(18)8-10/h1-5,8-9,20H,6-7H2,(H,19,21)
InChIKeyYFYIIHCEQHYHEF-UHFFFAOYSA-N
MW374.80 g/mol
LogP2.33
Rot. Bonds6

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide (PubChem CID 32999320) has the molecular formula C15H13ClF2N2O3S and a molecular weight of 374.80 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
PubChem CID32999320
Molecular FormulaC15H13ClF2N2O3S
Molecular Weight374.80 g/mol
Exact Mass374.03
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13ClF2N2O3S/c16-11-2-1-3-12(9-11)24(22,23)20-7-6-19-15(21)10-4-5-13(17)14(18)8-10/h1-5,8-9,20H,6-7H2,(H,19,21)
InChIKeyYFYIIHCEQHYHEF-UHFFFAOYSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108571401
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide
CID 86975272
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide (CID 32999320) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide is O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide?
The InChIKey is YFYIIHCEQHYHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O3S/c16-11-2-1-3-12(9-11)24(22,23)20-7-6-19-15(21)10-4-5-13(17)14(18)8-10/h1-5,8-9,20H,6-7H2,(H,19,21).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide has a molecular weight of 374.80 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 32999320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).