4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C20H20N4O5S2 — CID 55616707

IUPAC4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O5S2/c1-14(15-2-6-18(7-3-15)30(21,26)27)23-20(25)16-4-8-19(9-5-16)31(28,29)24-17-10-12-22-13-11-17/h2-14H,1H3,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyZPZYRCRTXLNJRI-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.02
Rot. Bonds7

About 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 55616707) has the molecular formula C20H20N4O5S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID55616707
Molecular FormulaC20H20N4O5S2
Molecular Weight460.54 g/mol
Exact Mass460.09
IUPAC Name4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O5S2/c1-14(15-2-6-18(7-3-15)30(21,26)27)23-20(25)16-4-8-19(9-5-16)31(28,29)24-17-10-12-22-13-11-17/h2-14H,1H3,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyZPZYRCRTXLNJRI-UHFFFAOYSA-N
XLogP2.02
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305
4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 46512688
N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 46546290
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 55616707) is 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is ZPZYRCRTXLNJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S2/c1-14(15-2-6-18(7-3-15)30(21,26)27)23-20(25)16-4-8-19(9-5-16)31(28,29)24-17-10-12-22-13-11-17/h2-14H,1H3,(H,22,24)(H,23,25)(H2,21,26,27).
What are the key properties of 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 460.54 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 55616707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).