N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide

C21H19FN2O4S2 — CID 78868137

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H19FN2O4S2/c22-18-5-2-1-4-14(18)13-24(16-8-9-16)21(26)17-10-7-15(12-19(17)25)23-30(27,28)20-6-3-11-29-20/h1-7,10-12,16,23,25H,8-9,13H2
InChIKeySORAUAKQHSAZSO-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.20
Rot. Bonds7

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78868137) has the molecular formula C21H19FN2O4S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78868137
Molecular FormulaC21H19FN2O4S2
Molecular Weight446.53 g/mol
Exact Mass446.08
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C21H19FN2O4S2/c22-18-5-2-1-4-14(18)13-24(16-8-9-16)21(26)17-10-7-15(12-19(17)25)23-30(27,28)20-6-3-11-29-20/h1-7,10-12,16,23,25H,8-9,13H2
InChIKeySORAUAKQHSAZSO-UHFFFAOYSA-N
XLogP4.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
2-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867303
N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78869372
N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide
CID 78869056
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 34576472
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 112821205
N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
CID 19629447
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25042549

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (CID 78868137) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is SORAUAKQHSAZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S2/c22-18-5-2-1-4-14(18)13-24(16-8-9-16)21(26)17-10-7-15(12-19(17)25)23-30(27,28)20-6-3-11-29-20/h1-7,10-12,16,23,25H,8-9,13H2.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78868137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).