N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C19H20N4O4S — CID 2345132

IUPACN-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H20N4O4S/c1-13-2-3-14(10-18(13)28(25,26)23-6-8-27-9-7-23)19(24)21-16-5-4-15-12-20-22-17(15)11-16/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyGFQGATFJICMDPC-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.14
Rot. Bonds4

About N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2345132) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2345132
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H20N4O4S/c1-13-2-3-14(10-18(13)28(25,26)23-6-8-27-9-7-23)19(24)21-16-5-4-15-12-20-22-17(15)11-16/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyGFQGATFJICMDPC-UHFFFAOYSA-N
XLogP2.14
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 2346076
N-(1H-indazol-6-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2374283
4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2405863
3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholinophenyl)benzamide
CID 44580731
N-(2-hydroxyethyl)-4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
CID 71567008
N-(1H-indazol-6-yl)-4-(morpholinosulfonyl)benzamide
CID 2377036
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
CID 66610384
2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
CID 501343
4-[3-(dimethylamino)propyl-methylamino]-N-[5-(3-fluorophenyl)sulfonylindazol-1-yl]-2-(2-methoxyethylamino)benzamide
CID 172705336
2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide
CID 175971349
2-[(4-fluorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide
CID 2361886
4-(1H-indazol-6-ylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40663981

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 2345132) is N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GFQGATFJICMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13-2-3-14(10-18(13)28(25,26)23-6-8-27-9-7-23)19(24)21-16-5-4-15-12-20-22-17(15)11-16/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 400.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2345132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).