1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide

C26H27N5O3S — CID 67455298

IUPAC1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc23)c1
InChIInChI=1S/C26H27N5O3S/c27-35(33,34)22-8-4-7-20(15-22)25-23-16-21(9-10-24(23)29-30-25)28-26(32)19-11-13-31(14-12-19)17-18-5-2-1-3-6-18/h1-10,15-16,19H,11-14,17H2,(H,28,32)(H,29,30)(H2,27,33,34)
InChIKeySGESKSDFEBHKGC-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.73
Rot. Bonds6

About 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide

1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide (PubChem CID 67455298) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide
PubChem CID67455298
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc23)c1
InChIInChI=1S/C26H27N5O3S/c27-35(33,34)22-8-4-7-20(15-22)25-23-16-21(9-10-24(23)29-30-25)28-26(32)19-11-13-31(14-12-19)17-18-5-2-1-3-6-18/h1-10,15-16,19H,11-14,17H2,(H,28,32)(H,29,30)(H2,27,33,34)
InChIKeySGESKSDFEBHKGC-UHFFFAOYSA-N
XLogP3.73
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide
CID 22261018
(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide
CID 67455130
2-[[4-[(3-naphthalen-1-yl-1H-indazol-5-yl)carbamoyl]piperidin-1-yl]methyl]benzoic acid
CID 22260715
1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
CID 53476641
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 123333821
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
1-benzyl-N-(6-phenyl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyrrolidine-3-carboxamide
CID 70036441

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide (CID 67455298) is 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc23)c1.
What is the InChIKey of 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide?
The InChIKey is SGESKSDFEBHKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c27-35(33,34)22-8-4-7-20(15-22)25-23-16-21(9-10-24(23)29-30-25)28-26(32)19-11-13-31(14-12-19)17-18-5-2-1-3-6-18/h1-10,15-16,19H,11-14,17H2,(H,28,32)(H,29,30)(H2,27,33,34).
What are the key properties of 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide?
1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67455298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).