N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide

C22H25ClN4O3S — CID 71737709

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C22H25ClN4O3S/c1-2-26(15-17-5-3-4-6-20(17)23)22(28)16-9-11-27(12-10-16)31(29,30)19-7-8-21-18(13-19)14-24-25-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25)
InChIKeyCOYNEKSAHJHOQS-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.67
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 71737709) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide
PubChem CID71737709
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C22H25ClN4O3S/c1-2-26(15-17-5-3-4-6-20(17)23)22(28)16-9-11-27(12-10-16)31(29,30)19-7-8-21-18(13-19)14-24-25-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25)
InChIKeyCOYNEKSAHJHOQS-UHFFFAOYSA-N
XLogP3.67
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide (CID 71737709) is N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide is CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is COYNEKSAHJHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-2-26(15-17-5-3-4-6-20(17)23)22(28)16-9-11-27(12-10-16)31(29,30)19-7-8-21-18(13-19)14-24-25-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 460.99 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-1-(1H-indazol-5-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 71737709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).