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

C21H19FN2O4S2 — CID 78868798

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H19FN2O4S2/c22-15-5-3-14(4-6-15)13-24(17-8-9-17)21(26)18-10-7-16(12-19(18)25)23-30(27,28)20-2-1-11-29-20/h1-7,10-12,17,23,25H,8-9,13H2
InChIKeyHJWUBCRKWJEWPH-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.20
Rot. Bonds7

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

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78868798) has the molecular formula C21H19FN2O4S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78868798
Molecular FormulaC21H19FN2O4S2
Molecular Weight446.53 g/mol
Exact Mass446.08
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H19FN2O4S2/c22-15-5-3-14(4-6-15)13-24(17-8-9-17)21(26)18-10-7-16(12-19(18)25)23-30(27,28)20-2-1-11-29-20/h1-7,10-12,17,23,25H,8-9,13H2
InChIKeyHJWUBCRKWJEWPH-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (CID 78868798) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is HJWUBCRKWJEWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S2/c22-15-5-3-14(4-6-15)13-24(17-8-9-17)21(26)18-10-7-16(12-19(18)25)23-30(27,28)20-2-1-11-29-20/h1-7,10-12,17,23,25H,8-9,13H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
N-cyclopropyl-N-[(4-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-[(4-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78868798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).