4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide

C17H19ClN4O4S — CID 24646619

IUPAC4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)ccc1Cl
InChIInChI=1S/C17H19ClN4O4S/c18-14-3-2-13(9-15(14)27(19,24)25)17(23)21-11-12-1-4-16(20-10-12)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11H2,(H,21,23)(H2,19,24,25)
InChIKeyBQRNGLUSUYHEMM-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.15
Rot. Bonds5

About 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide

4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide (PubChem CID 24646619) has the molecular formula C17H19ClN4O4S and a molecular weight of 410.88 g/mol. Its IUPAC name is 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide
PubChem CID24646619
Molecular FormulaC17H19ClN4O4S
Molecular Weight410.88 g/mol
Exact Mass410.08
IUPAC Name4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)ccc1Cl
InChIInChI=1S/C17H19ClN4O4S/c18-14-3-2-13(9-15(14)27(19,24)25)17(23)21-11-12-1-4-16(20-10-12)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11H2,(H,21,23)(H2,19,24,25)
InChIKeyBQRNGLUSUYHEMM-UHFFFAOYSA-N
XLogP1.15
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide (CID 24646619) is 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide?
The InChIKey is BQRNGLUSUYHEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4S/c18-14-3-2-13(9-15(14)27(19,24)25)17(23)21-11-12-1-4-16(20-10-12)22-5-7-26-8-6-22/h1-4,9-10H,5-8,11H2,(H,21,23)(H2,19,24,25).
What are the key properties of 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide?
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide has a molecular weight of 410.88 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-sulfamoylbenzamide is sourced from PubChem (CID 24646619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).