N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

C18H13F2N3O3S2 — CID 2348373

IUPACN-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=Cc1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H13F2N3O3S2/c19-15-8-3-12(10-16(15)20)11-21-22-18(24)13-4-6-14(7-5-13)23-28(25,26)17-2-1-9-27-17/h1-11,23H,(H,22,24)
InChIKeyVMGJUCHSMQOZGY-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.59
Rot. Bonds6

About N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2348373) has the molecular formula C18H13F2N3O3S2 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2348373
Molecular FormulaC18H13F2N3O3S2
Molecular Weight421.45 g/mol
Exact Mass421.04
IUPAC NameN-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=Cc1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H13F2N3O3S2/c19-15-8-3-12(10-16(15)20)11-21-22-18(24)13-4-6-14(7-5-13)23-28(25,26)17-2-1-9-27-17/h1-11,23H,(H,22,24)
InChIKeyVMGJUCHSMQOZGY-UHFFFAOYSA-N
XLogP3.59
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 2348373) is N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NN=Cc1ccc(F)c(F)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is VMGJUCHSMQOZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3S2/c19-15-8-3-12(10-16(15)20)11-21-22-18(24)13-4-6-14(7-5-13)23-28(25,26)17-2-1-9-27-17/h1-11,23H,(H,22,24).
What are the key properties of N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 421.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2348373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).