N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide

C16H13ClF4N2O4S — CID 86975272

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C16H13ClF4N2O4S/c17-9-2-1-3-11(6-9)28(25,26)23-5-4-22-15(24)14-12(18)7-10(8-13(14)19)27-16(20)21/h1-3,6-8,16,23H,4-5H2,(H,22,24)
InChIKeyUHYBEGMMEKTMDI-UHFFFAOYSA-N
MW440.80 g/mol
LogP2.93
Rot. Bonds8

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide (PubChem CID 86975272) has the molecular formula C16H13ClF4N2O4S and a molecular weight of 440.80 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide
PubChem CID86975272
Molecular FormulaC16H13ClF4N2O4S
Molecular Weight440.80 g/mol
Exact Mass440.02
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1c(F)cc(OC(F)F)cc1F
InChIInChI=1S/C16H13ClF4N2O4S/c17-9-2-1-3-11(6-9)28(25,26)23-5-4-22-15(24)14-12(18)7-10(8-13(14)19)27-16(20)21/h1-3,6-8,16,23H,4-5H2,(H,22,24)
InChIKeyUHYBEGMMEKTMDI-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-3,4-difluorobenzamide
CID 32999320
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108571401
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide (CID 86975272) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide is O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1c(F)cc(OC(F)F)cc1F.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide?
The InChIKey is UHYBEGMMEKTMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O4S/c17-9-2-1-3-11(6-9)28(25,26)23-5-4-22-15(24)14-12(18)7-10(8-13(14)19)27-16(20)21/h1-3,6-8,16,23H,4-5H2,(H,22,24).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide has a molecular weight of 440.80 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(difluoromethoxy)-2,6-difluorobenzamide is sourced from PubChem (CID 86975272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).