5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide

C19H18Cl2N4O3S — CID 167901586

IUPAC5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18Cl2N4O3S/c20-12-4-7-16-14(10-12)18(24-23-16)19(26)22-13-5-6-15(21)17(11-13)29(27,28)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9H2,(H,22,26)(H,23,24)
InChIKeyMBOHOJYFCLJKKL-UHFFFAOYSA-N
MW453.35 g/mol
LogP4.30
Rot. Bonds4

About 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide

5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide (PubChem CID 167901586) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
PubChem CID167901586
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC Name5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1n[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18Cl2N4O3S/c20-12-4-7-16-14(10-12)18(24-23-16)19(26)22-13-5-6-15(21)17(11-13)29(27,28)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9H2,(H,22,26)(H,23,24)
InChIKeyMBOHOJYFCLJKKL-UHFFFAOYSA-N
XLogP4.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
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1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
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N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686545
N-(3-amino-1H-indazol-5-yl)-2,5-dichlorobenzamide
CID 155557901
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-1H-indazole-3-carboxamide
CID 11544830
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
CID 9328320
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679596

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide (CID 167901586) is 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1n[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is MBOHOJYFCLJKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c20-12-4-7-16-14(10-12)18(24-23-16)19(26)22-13-5-6-15(21)17(11-13)29(27,28)25-8-2-1-3-9-25/h4-7,10-11H,1-3,8-9H2,(H,22,26)(H,23,24).
What are the key properties of 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide?
5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 453.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 167901586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).