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

C18H17ClN4O4S — CID 2405863

IUPAC4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17ClN4O4S/c19-15-4-2-12(9-17(15)28(25,26)23-5-7-27-8-6-23)18(24)21-14-3-1-13-11-20-22-16(13)10-14/h1-4,9-11H,5-8H2,(H,20,22)(H,21,24)
InChIKeyBJHDEBJLXOWQOA-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.49
Rot. Bonds4

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

4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2405863) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2405863
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC Name4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17ClN4O4S/c19-15-4-2-12(9-17(15)28(25,26)23-5-7-27-8-6-23)18(24)21-14-3-1-13-11-20-22-16(13)10-14/h1-4,9-11H,5-8H2,(H,20,22)(H,21,24)
InChIKeyBJHDEBJLXOWQOA-UHFFFAOYSA-N
XLogP2.49
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.49
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
N-(1H-indazol-6-yl)-4-(morpholinosulfonyl)benzamide
CID 2377036
2-[4-(4-chloro-3-sulfamoylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-5-yl]-N-(6-fluoro-1H-indazol-5-yl)acetamide
CID 140087427
N-(2-chloro-6-fluorophenyl)sulfonyl-6-morpholin-4-yl-1H-indazole-3-carboxamide
CID 177939717
4-(4-chloro-benzenesulphonyl amino)-N-(1h-indazole-5-yl)-benzamide
CID 129883310
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide
CID 4159659
2,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]-N-(1H-indazol-6-yl)benzamide
CID 32288470
4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 75416650
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide
CID 18551313
3-(Benzenesulfonyl-benzyl-amino)-N-(1H-indazol-6-yl)-benzamide
CID 46182505

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide (CID 2405863) is 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BJHDEBJLXOWQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c19-15-4-2-12(9-17(15)28(25,26)23-5-7-27-8-6-23)18(24)21-14-3-1-13-11-20-22-16(13)10-14/h1-4,9-11H,5-8H2,(H,20,22)(H,21,24).
What are the key properties of 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.88 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2405863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).