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

C18H18N4O4S — CID 2377036

IUPACN-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18N4O4S/c23-18(20-15-4-1-14-12-19-21-17(14)11-15)13-2-5-16(6-3-13)27(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H,19,21)(H,20,23)
InChIKeyPXFTVSAPUXRGKO-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.84
Rot. Bonds4

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

N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2377036) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2377036
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H18N4O4S/c23-18(20-15-4-1-14-12-19-21-17(14)11-15)13-2-5-16(6-3-13)27(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H,19,21)(H,20,23)
InChIKeyPXFTVSAPUXRGKO-UHFFFAOYSA-N
XLogP1.84
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2345132
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-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
CID 66610384
2,4-Difluoro-N-(1H-6-indazolyl)-5-(2-morpholinoethyl)aminobenzamide
CID 501334
2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
CID 501343
N-(1H-indazol-4-yl)-1,3-dioxoisoindole-5-sulfonamide
CID 53601978
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 134141334
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 134155958

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide (CID 2377036) is N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PXFTVSAPUXRGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-18(20-15-4-1-14-12-19-21-17(14)11-15)13-2-5-16(6-3-13)27(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H,19,21)(H,20,23).
What are the key properties of N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide?
N-(1H-indazol-6-yl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 386.43 g/mol, XLogP of 1.84, 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-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2377036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).