2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide

C20H18N4O4S — CID 44571913

IUPAC2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(N)(=O)=O)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H18N4O4S/c1-13-7-8-15(11-18(13)20(26)24-16-5-3-9-22-12-16)23-19(25)14-4-2-6-17(10-14)29(21,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,21,27,28)
InChIKeyGEMRFHQVHJNLQO-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.54
Rot. Bonds5

About 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide

2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide (PubChem CID 44571913) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide
PubChem CID44571913
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(N)(=O)=O)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H18N4O4S/c1-13-7-8-15(11-18(13)20(26)24-16-5-3-9-22-12-16)23-19(25)14-4-2-6-17(10-14)29(21,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,21,27,28)
InChIKeyGEMRFHQVHJNLQO-UHFFFAOYSA-N
XLogP2.54
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Stf-31
CID 984333
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CID 155549611
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-[4-(aminosulfonyl)phenyl]-6-quinoxalinecarboxamide
CID 2814525
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CID 992049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide?
The IUPAC name of 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide (CID 44571913) is 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide?
The canonical SMILES for 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide is Cc1ccc(NC(=O)c2cccc(S(N)(=O)=O)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide?
The InChIKey is GEMRFHQVHJNLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-13-7-8-15(11-18(13)20(26)24-16-5-3-9-22-12-16)23-19(25)14-4-2-6-17(10-14)29(21,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,21,27,28).
What are the key properties of 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide?
2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide has a molecular weight of 410.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-3-yl-5-[(3-sulfamoylbenzoyl)amino]benzamide is sourced from PubChem (CID 44571913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).