N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide

C16H18N4O4S — CID 34443622

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C16H18N4O4S/c17-25(22,23)14-4-1-12(2-5-14)16(21)19-13-3-6-15(18-11-13)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,19,21)(H2,17,22,23)
InChIKeyXETDNXQYNTUKOK-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.82
Rot. Bonds4

About N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide

N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide (PubChem CID 34443622) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide
PubChem CID34443622
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C16H18N4O4S/c17-25(22,23)14-4-1-12(2-5-14)16(21)19-13-3-6-15(18-11-13)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,19,21)(H2,17,22,23)
InChIKeyXETDNXQYNTUKOK-UHFFFAOYSA-N
XLogP0.82
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide (CID 34443622) is N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide?
The InChIKey is XETDNXQYNTUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c17-25(22,23)14-4-1-12(2-5-14)16(21)19-13-3-6-15(18-11-13)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,19,21)(H2,17,22,23).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide?
N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide has a molecular weight of 362.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 34443622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).