N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C20H18FN3O4S2 — CID 3451346

IUPACN-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(F)ccc1O
InChIInChI=1S/C20H18FN3O4S2/c1-2-16(15-12-13(21)9-10-18(15)25)22-23-20(26)14-6-3-4-7-17(14)24-30(27,28)19-8-5-11-29-19/h3-12,24-25H,2H2,1H3,(H,23,26)
InChIKeyCIELBNFDOWJQTP-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.94
Rot. Bonds7

About N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 3451346) has the molecular formula C20H18FN3O4S2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID3451346
Molecular FormulaC20H18FN3O4S2
Molecular Weight447.51 g/mol
Exact Mass447.07
IUPAC NameN-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(F)ccc1O
InChIInChI=1S/C20H18FN3O4S2/c1-2-16(15-12-13(21)9-10-18(15)25)22-23-20(26)14-6-3-4-7-17(14)24-30(27,28)19-8-5-11-29-19/h3-12,24-25H,2H2,1H3,(H,23,26)
InChIKeyCIELBNFDOWJQTP-UHFFFAOYSA-N
XLogP3.94
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 135679012
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
4-ethyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135673781
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2473604
4-tert-butyl-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135614080
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[2-[[(7-fluoro-2-methylquinoline-4-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 39459100
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 3451346) is N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is CCC(=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(F)ccc1O.
What is the InChIKey of N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is CIELBNFDOWJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O4S2/c1-2-16(15-12-13(21)9-10-18(15)25)22-23-20(26)14-6-3-4-7-17(14)24-30(27,28)19-8-5-11-29-19/h3-12,24-25H,2H2,1H3,(H,23,26).
What are the key properties of N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 447.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 3451346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).