4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide

C19H21ClN4O5S — CID 134603941

IUPAC4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccncc2Cl)ccc1C(=O)NCC1CCOC1
InChIInChI=1S/C19H21ClN4O5S/c20-16-10-22-5-3-13(16)7-18(25)24-14-1-2-15(17(8-14)30(21,27)28)19(26)23-9-12-4-6-29-11-12/h1-3,5,8,10,12H,4,6-7,9,11H2,(H,23,26)(H,24,25)(H2,21,27,28)
InChIKeyUPXGPTFIXPIXQL-UHFFFAOYSA-N
MW452.92 g/mol
LogP1.33
Rot. Bonds7

About 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide

4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide (PubChem CID 134603941) has the molecular formula C19H21ClN4O5S and a molecular weight of 452.92 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide
PubChem CID134603941
Molecular FormulaC19H21ClN4O5S
Molecular Weight452.92 g/mol
Exact Mass452.09
IUPAC Name4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccncc2Cl)ccc1C(=O)NCC1CCOC1
InChIInChI=1S/C19H21ClN4O5S/c20-16-10-22-5-3-13(16)7-18(25)24-14-1-2-15(17(8-14)30(21,27)28)19(26)23-9-12-4-6-29-11-12/h1-3,5,8,10,12H,4,6-7,9,11H2,(H,23,26)(H,24,25)(H2,21,27,28)
InChIKeyUPXGPTFIXPIXQL-UHFFFAOYSA-N
XLogP1.33
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide with MolForge

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Related Compounds

4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
CID 134603951
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 63932911
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(4-fluorophenyl)-2-sulfamoylbenzamide
CID 134604003
2-(2-chlorophenyl)-N-[4-(oxetan-3-ylmethoxymethyl)-3-sulfamoylphenyl]acetamide
CID 164596482
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide?
The IUPAC name of 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide (CID 134603941) is 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide?
The canonical SMILES for 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccncc2Cl)ccc1C(=O)NCC1CCOC1.
What is the InChIKey of 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide?
The InChIKey is UPXGPTFIXPIXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O5S/c20-16-10-22-5-3-13(16)7-18(25)24-14-1-2-15(17(8-14)30(21,27)28)19(26)23-9-12-4-6-29-11-12/h1-3,5,8,10,12H,4,6-7,9,11H2,(H,23,26)(H,24,25)(H2,21,27,28).
What are the key properties of 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide?
4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide has a molecular weight of 452.92 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide is sourced from PubChem (CID 134603941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).