5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide

C20H14Cl2N4O3S — CID 18551313

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2N4O3S/c21-13-2-6-16(7-3-13)30(28,29)26-18-8-4-14(22)9-17(18)20(27)24-15-5-1-12-11-23-25-19(12)10-15/h1-11,26H,(H,23,25)(H,24,27)
InChIKeyTVWFNJFOMOFUBQ-UHFFFAOYSA-N
MW461.33 g/mol
LogP4.92
Rot. Bonds5

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide (PubChem CID 18551313) has the molecular formula C20H14Cl2N4O3S and a molecular weight of 461.33 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide
PubChem CID18551313
Molecular FormulaC20H14Cl2N4O3S
Molecular Weight461.33 g/mol
Exact Mass460.02
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2N4O3S/c21-13-2-6-16(7-3-13)30(28,29)26-18-8-4-14(22)9-17(18)20(27)24-15-5-1-12-11-23-25-19(12)10-15/h1-11,26H,(H,23,25)(H,24,27)
InChIKeyTVWFNJFOMOFUBQ-UHFFFAOYSA-N
XLogP4.92
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1H-indazol-6-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2405863
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1H-indazole-3-carboxamide
CID 17418147
3-[(3-chlorobenzoyl)amino]-N-(1H-indazol-5-yl)benzamide
CID 145969332
5-chloro-2-[(5-ethyl-1H-pyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 177661489
5-(4-chlorophenyl)sulfonyl-8-fluoro-1H-pyrazolo[4,5-c]quinolin-4-one
CID 67505326
2-chloro-6-fluoro-N-[1-(4-fluorobenzenesulfonyl)-1H-indazol-6-yl]benzamide
CID 69093148
2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 69282264
N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide
CID 69282326
2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 87765695
N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 90088383
2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
CID 90088397
2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 90088436

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide (CID 18551313) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide?
The InChIKey is TVWFNJFOMOFUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O3S/c21-13-2-6-16(7-3-13)30(28,29)26-18-8-4-14(22)9-17(18)20(27)24-15-5-1-12-11-23-25-19(12)10-15/h1-11,26H,(H,23,25)(H,24,27).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide has a molecular weight of 461.33 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 18551313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).