N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C18H17N3O5S3 — CID 2527187

IUPACN-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H17N3O5S3/c19-28(23,24)16-9-3-13(4-10-16)12-20-18(22)14-5-7-15(8-6-14)21-29(25,26)17-2-1-11-27-17/h1-11,21H,12H2,(H,20,22)(H2,19,23,24)
InChIKeyKQMJGDRXCGLRBV-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.13
Rot. Bonds7

About N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2527187) has the molecular formula C18H17N3O5S3 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2527187
Molecular FormulaC18H17N3O5S3
Molecular Weight451.55 g/mol
Exact Mass451.03
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C18H17N3O5S3/c19-28(23,24)16-9-3-13(4-10-16)12-20-18(22)14-5-7-15(8-6-14)21-29(25,26)17-2-1-11-27-17/h1-11,21H,12H2,(H,20,22)(H2,19,23,24)
InChIKeyKQMJGDRXCGLRBV-UHFFFAOYSA-N
XLogP2.13
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 2527187) is N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KQMJGDRXCGLRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S3/c19-28(23,24)16-9-3-13(4-10-16)12-20-18(22)14-5-7-15(8-6-14)21-29(25,26)17-2-1-11-27-17/h1-11,21H,12H2,(H,20,22)(H2,19,23,24).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 451.55 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2527187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).