N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide

C23H22N4O3S — CID 25263302

IUPACN-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1
InChIInChI=1S/C23H22N4O3S/c28-23(18-7-4-12-24-14-18)26-19-11-10-17-15-25-27(21(17)13-19)31(29,30)22-9-3-6-16-5-1-2-8-20(16)22/h1-3,5-6,8-11,13,15,18,24H,4,7,12,14H2,(H,26,28)
InChIKeyNDTCTCKVFXXKQH-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.36
Rot. Bonds4

About N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide

N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide (PubChem CID 25263302) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide
PubChem CID25263302
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1
InChIInChI=1S/C23H22N4O3S/c28-23(18-7-4-12-24-14-18)26-19-11-10-17-15-25-27(21(17)13-19)31(29,30)22-9-3-6-16-5-1-2-8-20(16)22/h1-3,5-6,8-11,13,15,18,24H,4,7,12,14H2,(H,26,28)
InChIKeyNDTCTCKVFXXKQH-UHFFFAOYSA-N
XLogP3.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide (CID 25263302) is N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide is O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCCNC1.
What is the InChIKey of N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide?
The InChIKey is NDTCTCKVFXXKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c28-23(18-7-4-12-24-14-18)26-19-11-10-17-15-25-27(21(17)13-19)31(29,30)22-9-3-6-16-5-1-2-8-20(16)22/h1-3,5-6,8-11,13,15,18,24H,4,7,12,14H2,(H,26,28).
What are the key properties of N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide?
N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylsulfonylindazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 25263302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).